CAS 618-76-8 | 4-Hydroxy-3,5-diiodobenzoic acid | CAS Number 618-76-8

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618-76-8 | 4-Hydroxy-3,5-diiodobenzoic acid

CAS No: 618-76-8 Catalog No: AG003INJ MDL No:MFCD00016532

Product Description

Catalog Number:

AG003INJ

Chemical Name:

4-Hydroxy-3,5-diiodobenzoic acid

CAS Number:

618-76-8

Molecular Formula:

C7H4I2O3

Molecular Weight:

389.9138

MDL Number:

MFCD00016532

IUPAC Name:

4-hydroxy-3,5-diiodobenzoic acid

InChI:

InChI=1S/C7H4I2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)

InChI Key:

XREKTVACBXQCSB-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(I)c(c(c1)I)O

EC Number:

210-562-0

UNII:

8C0QV5JK0D

NSC Number:

1497

Properties

Complexity:

174

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

389.825g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

389.915g/mol

Monoisotopic Mass:

389.825g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Hydrolysis of benzonitrile herbicides by soil actinobacteria and metabolite toxicity.	Biodegradation 20100901
Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening.	Journal of medicinal chemistry 20040506