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88-67-5 | 2-Iodobenzoic Acid
CAS No: 88-67-5 Catalog No: AG00IEUM MDL No:MFCD00002419
Product Description
Catalog Number:
AG00IEUM
Chemical Name:
2-Iodobenzoic Acid
CAS Number:
88-67-5
Molecular Formula:
C7H5IO2
Molecular Weight:
248.0179
MDL Number:
MFCD00002419
IUPAC Name:
2-iodobenzoic acid
InChI:
InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChI Key:
CJNZAXGUTKBIHP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1I
EC Number:
201-850-7
UNII:
7Q00V80J7Q
NSC Number:
3772
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.933g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.019g/mol
Monoisotopic Mass:
247.933g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Enantioselective synthesis of α-oxy amides via Umpolung amide synthesis. | Journal of the American Chemical Society 20120919 |
| Diaqua-bis-(2-iodo-benzoato-κO)bis-(nicotinamide-κN(1))copper(II). | Acta crystallographica. Section E, Structure reports online 20120901 |
| New protein footprinting: fast photochemical iodination combined with top-down and bottom-up mass spectrometry. | Journal of the American Society for Mass Spectrometry 20120801 |
| Providing support in favor of the existence of a Pd(II)/Pd(IV) catalytic cycle in a Heck-type reaction. | Chemistry (Weinheim an der Bergstrasse, Germany) 20120618 |
| catena-Poly[[aqua-(2-iodo-benzoato-κO)cobalt(II)]-μ-aqua-μ-2-iodo-benzoato-κ(2)O:O']. | Acta crystallographica. Section E, Structure reports online 20120501 |
| Tetra-kis(μ-2-iodo-benzoato-κ(2)O:O')bis-[aqua-copper(II)]. | Acta crystallographica. Section E, Structure reports online 20120401 |
| Diaqua-bis-(2-iodo-benzoato-κO)bis-(nicotinamide-κN(1))cobalt(II). | Acta crystallographica. Section E, Structure reports online 20120401 |
| Assembly of 3-substituted isocoumarins via a CuI-catalyzed domino coupling/addition/deacylation process. | The Journal of organic chemistry 20120302 |
| 2-(Tritylsulfan-yl)ethyl 3-iodo-benzoate. | Acta crystallographica. Section E, Structure reports online 20111001 |
| 2-(Tritylsulfan-yl)ethyl 2-iodo-benzoate. | Acta crystallographica. Section E, Structure reports online 20110901 |
| New substituted isocoumarins and Dihydroisocoumarins and their cytotoxic activities. | Scientia pharmaceutica 20110101 |
| Capillary HPLC-ICPMS and tyrosine iodination for the absolute quantification of peptides using generic standards. | Analytical chemistry 20090701 |
| Solution-phase synthesis of a diverse isocoumarin library. | Journal of combinatorial chemistry 20090101 |
| The differential influence of non-iodinated and mono- or diiodinated benzoic acids on cellular and nuclear uptake of the nuclear localization sequence of the SV 40 T antigen. | International journal of pharmaceutics 20080501 |
| Cu2+ ions as a paramagnetic probe to study the surface chemical modification process of layered double hydroxides and hydroxide salts with nitrate and carboxylate anions. | Journal of colloid and interface science 20080401 |
| One-pot multicomponent synthesis of indoles from 2-iodobenzoic acid. | Angewandte Chemie (International ed. in English) 20080101 |
| Highly efficient cyclization of o-iodobenzoates with aldehydes catalyzed by cobalt bidentate phosphine complexes: a novel entry to chiral phthalides. | Chemistry (Weinheim an der Bergstrasse, Germany) 20070101 |
| Inhibition of spinach chloroplast F0F1 by an Fe2+/ascorbate/H2O2 system. | Plant physiology and biochemistry : PPB 20070101 |
| Palladium-catalyzed coupling of allenylphosphonates, phenylallenes, and allenyl esters: remarkable salt effect and routes to novel benzofurans and isocoumarins. | The Journal of organic chemistry 20061124 |
| An unexpected ion-molecule adduct in negative-ion collision-induced decomposition ion-trap mass spectra of halogenated benzoic acids. | Rapid communications in mass spectrometry : RCM 20060101 |
| High-performance liquid chromatography-diode array detection assay for the detection and quantification of the Beauveria metabolite oosporein from potato tubers. | Journal of chromatography. A 20051028 |
| In situ generation of o-iodoxybenzoic acid (IBX) and the catalytic use of it in oxidation reactions in the presence of Oxone as a co-oxidant. | Organic letters 20050707 |
| Synthesis of isocoumarins via Pd/C-mediated reactions of o-iodobenzoic acid with terminal alkynes. | The Journal of organic chemistry 20050610 |
| Large-scale homogeneous molecular templates for femtosecond time-resolved studies of the guest-host interaction. | Journal of biotechnology 20040826 |
| Synthesis of phthalide derivatives using nickel-catalyzed cyclization of o-haloesters with aldehydes. | Chemistry (Weinheim an der Bergstrasse, Germany) 20040621 |
| Exploration of ionic liquids as soluble supports for organic synthesis. Demonstration with a Suzuki coupling reaction. | Organic letters 20031225 |
| Cyclization of oxa-bicyclic alkenes with beta-iodo-(Z)-propenoates and o-iodobenzoate catalyzed by nickel complexes: a simple efficient route to annulated coumarins. | Organic letters 20031211 |
| In vitro selectivity, in vivo biodistribution and tumour uptake of annexin V radiolabelled with a positron emitting radioisotope. | British journal of cancer 20031006 |
| Photocatalytic dehalogenation coupled on-line to a reversed micellar-mediated chemiluminescence detection system: application to the determination of iodinated aromatic compounds. | Analytical chemistry 20030901 |
| [Selective metalation and solid phase organometallic chemistry]. | Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20021101 |
| Iodine-containing cellulose mixed esters as radiopaque polymers for direct embolization of cerebral aneurysms and arteriovenous malformations. | Biomaterials 20020101 |
| Expression of 2-halobenzoate dioxygenase genes (cbdSABC) involved in the degradation of benzoate and 2-halobenzoate in Burkholderia sp. TH2. | Gene 20010110 |
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