4-Chloro-3-hydroxybenzoic acid

C₇H₅ClO₃CAS 34113-69-4172.56 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
logP: 1.74Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

34113-69-4

SMILES

C1=CC(=C(C=C1C(=O)O)O)Cl

InChIKey

SCPUNJAMWFAYED-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-Chloro-3-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

3,4-Dichlorobenzoic acid51-44-570 % similar Protocatechuic acid99-50-367 % similar 2-Hydroxyterephthalic acid636-94-263 % similar 3-Amino-4-chlorobenzoic acid2840-28-062 % similar 4-Chloro-3-fluorobenzoic acid403-17-862 % similar 4-Chloro-3-iodobenzoic acid42860-04-862 % similar 3-Bromo-4-chlorobenzoic acid42860-10-662 % similar 4-Chloro-3-methylbenzoic acid7697-29-262 % 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 3-Chloro-5-hydroxybenzoic Acid53984-36-4 2-Chloro-4-hydroxybenzoic acid56363-84-9 2-Chloro-5-hydroxybenzoic acid56961-30-9 2-Chloro-6-hydroxybenzoic acid56961-31-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook