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618-51-9 | 3-Iodobenzoic acid
CAS No: 618-51-9 Catalog No: AG003JLL MDL No:MFCD00002496
Product Description
Catalog Number:
AG003JLL
Chemical Name:
3-Iodobenzoic acid
CAS Number:
618-51-9
Molecular Formula:
C7H5IO2
Molecular Weight:
248.0179
MDL Number:
MFCD00002496
IUPAC Name:
3-iodobenzoic acid
InChI:
InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChI Key:
KVBWBCRPWVKFQT-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)C(=O)O
EC Number:
210-555-2
NSC Number:
74693
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:
3.1
Literature
| Title | Journal |
|---|---|
| 2-(Tritylsulfan-yl)ethyl 3-iodo-benzoate. | Acta crystallographica. Section E, Structure reports online 20111001 |
| Synthesis and investigation of a radioiodinated F3 peptide analog as a SPECT tumor imaging radioligand. | PloS one 20110101 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Sulfato-bridged ECE-pincer palladium(II) complexes: structures in the solid-state and in solution, and catalytic properties. | Dalton transactions (Cambridge, England : 2003) 20090507 |
| The hydrogen-bonding patterns of 3-phenylpropylammonium benzoate and 3-phenylpropylammonium 3-iodobenzoate: generation of chiral crystals from achiral molecules. | Acta crystallographica. Section C, Crystal structure communications 20081201 |
| Gene expression signatures and small-molecule compounds link a protein kinase to Plasmodium falciparum motility. | Nature chemical biology 20080601 |
| Preparation and X-ray structures of 3-[Bis(trifluoroacetoxy)iodo]benzoic acid and 3-[hydroxy(tosyloxy)iodo]benzoic acid: new recyclable hypervalent iodine reagents. | The Journal of organic chemistry 20080104 |
| m-Iodosylbenzoic acid - a convenient recyclable reagent for highly efficient aromatic iodinations. | Beilstein journal of organic chemistry 20070101 |
| Influence of prosthetic radioiodination on the chemical and biological behavior of chemotactic peptides labeled at high specific activity. | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20060601 |
| Preparation of N-succinimidyl 3-[*I]iodobenzoate: an agent for the indirect radioiodination of proteins. | Nature protocols 20060101 |
| A novel route to radioiodinated [123I]-N-succinimidyl-3-iodobenzoate, a reagent for radioiodination of bioactive peptides. | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20021101 |
| m-Iodobenzoic acid complexes with selected metals: molecular structure and antimicrobial activity. | Journal of agricultural and food chemistry 20010601 |
| Determination of cyclodextrins and their derivatives by capillary electrophoresis with indirect UV and conductivity detection. | Fresenius' journal of analytical chemistry 20010401 |
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