3-Chloro-5-hydroxybenzoic Acid

C₇H₅ClO₃CAS 53984-36-4172.56 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

53984-36-4

SMILES

C1=C(C=C(C=C1O)Cl)C(=O)O

InChIKey

RJOLIYHZZKAIET-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

3-Chloro-5-hydroxy-benzoic acid

Work with 3-Chloro-5-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

3,5-Dichlorobenzoic acid51-36-574 % similar 5-Hydroxyisophthalic acid618-83-770 % similar 3,5-Dihydroxybenzoic acid99-10-570 % similar 3-Bromo-5-chlorobenzoic acid42860-02-663 % similar 3-Amino-5-chlorobenzoic acid21961-30-861 % similar 3-Chloro-5-fluorobenzoic acid25026-64-661 % similar 3-Bromo-5-hydroxybenzoic acid140472-69-159 % similar 3-Amino-5-hydroxybenzoic acid76045-71-158 % 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 4-Chloro-3-hydroxybenzoic acid34113-69-4 3-Chloro-4-hydroxybenzoic acid3964-58-7 4-Chlorosalicylic acid5106-98-9 2-Chloro-4-hydroxybenzoic acid56363-84-9 2-Chloro-5-hydroxybenzoic acid56961-30-9 2-Chloro-6-hydroxybenzoic acid56961-31-0

Elsewhere

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