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626-02-8 | 3-Iodophenol
CAS No: 626-02-8 Catalog No: AG003JLR MDL No:MFCD00002261
Product Description
Catalog Number:
AG003JLR
Chemical Name:
3-Iodophenol
CAS Number:
626-02-8
Molecular Formula:
C6H5IO
Molecular Weight:
220.0078
MDL Number:
MFCD00002261
IUPAC Name:
3-iodophenol
InChI:
InChI=1S/C6H5IO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChI Key:
FXTKWBZFNQHAAO-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)I
EC Number:
210-923-2
Properties
Complexity:
74.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.939g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.009g/mol
Monoisotopic Mass:
219.939g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| 4,4'-Diiodo-2,2'-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octa-hydro-1H-1,3-benzimidazole-1,3-di-yl)bis-(methyl-ene)]diphenol. | Acta crystallographica. Section E, Structure reports online 20110901 |
| Desulfoluna spongiiphila sp. nov., a dehalogenating bacterium in the Desulfobacteraceae from the marine sponge Aplysina aerophoba. | International journal of systematic and evolutionary microbiology 20090901 |
| Inductive and resonance effects of substituents adjust the microalgal biodegradation of toxical phenolic compounds. | Journal of biotechnology 20080731 |
| Testing electrostatic complementarity in enzyme catalysis: hydrogen bonding in the ketosteroid isomerase oxyanion hole. | PLoS biology 20060401 |
| Palladium-catalyzed cross-coupling reaction of organoindiums with aryl halides in aqueous media. | Organic letters 20010628 |
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