2-Chloro-4-hydroxybenzoic acid

C₇H₅ClO₃CAS 56363-84-9172.56 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

Properties

Molecular formula: C₇H₅ClO₃
Molar mass: 172.56 g/mol
Exact mass: 171.9927 Da
Melting point: 159 °C
logP: 1.74Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

56363-84-9

SMILES

O=C(O)c1ccc(O)cc1Cl

InChIKey

WIPYZRZPNMUSER-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Benzoic acid, 2-chloro-4-hydroxy-
2-Chloro-4-hydroxybenzoic

Work with 2-Chloro-4-hydroxybenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromo-2-chlorobenzoic acid59748-90-267 % similar 4-Hydroxyphthalic acid610-35-567 % similar 2,4-Dichlorobenzoic acid50-84-066 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-162 % similar 2-Chloro-4-fluorobenzoic acid2252-51-962 % similar 4-Amino-2-chlorobenzoic acid2457-76-362 % similar 1-(2-Chloro-4-hydroxyphenyl)ethanone68301-59-762 % similar 2-Chloro-4-cyanobenzoic acid117738-77-961 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Chlorosalicylic acid1829-32-9 5-Chlorosalicylic acid321-14-2 3-Chloro-4-hydroxybenzoic acid3964-58-7 4-Chlorosalicylic acid5106-98-9 2-Chloro-5-hydroxybenzoic acid56961-30-9 2-Chloro-6-hydroxybenzoic acid56961-31-0 Meta-chloroperoxybenzoic acid937-14-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook