3-Chloro-4-hydroxybenzoic acid

C₇H₅ClO₃CAS 3964-58-7172.56 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: 171 °C
logP: 1.74Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

3964-58-7

SMILES

O=C(O)c1ccc(O)c(Cl)c1

InChIKey

QGNLHMKIGMZKJX-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 3-chloro-4-hydroxy-
4-Hydroxy-3-chlorobenzoic acid
m-Chloro-p-hydroxybenzoic acid
NSC 21186

Work with 3-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

3,4-Dichlorobenzoic acid51-44-570 % similar Protocatechuic acid99-50-367 % similar 3-Bromo-4-hydroxybenzoic acid14348-41-564 % similar 4-Hydroxyisophthalic acid636-46-463 % similar 4-Amino-3-chlorobenzoic acid2486-71-762 % similar 1-(3-Chloro-4-hydroxyphenyl)ethanone2892-29-762 % similar 3-Chloro-4-fluorobenzoic acid403-16-762 % similar 3-Chloro-4-methylbenzoic acid5162-82-362 % 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-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 Meta-chloroperoxybenzoic acid937-14-4

Elsewhere

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