2-Chloro-6-hydroxybenzoic acid

C₇H₅ClO₃CAS 56961-31-0172.56 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: 171.5–172.5 °C
logP: 1.74Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

56961-31-0

SMILES

O=C(O)c1c(O)cccc1Cl

InChIKey

QCEPIUWMXRQPIF-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClO3/c8-4-2-1-3-5(9)6(4)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

3 names

Benzoic acid, 2-chloro-6-hydroxy-
Salicylic acid, 6-chloro-
6-Chlorosalicylic acid

Work with 2-Chloro-6-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

2,6-Dihydroxybenzoic acid303-07-174 % similar 2,6-Dichlorobenzoic acid50-30-674 % similar 2-Chloro-6-methylbenzoic acid21327-86-661 % similar 2-Amino-6-chlorobenzoic acid2148-56-361 % similar 2-Chloro-6-fluorobenzoic acid434-75-361 % similar 3,6-Dichlorosalicylic acid3401-80-759 % similar 2,3,6-Trichlorobenzoic acid50-31-756 % similar 2-Hydroxy-6-methoxybenzoic acid3147-64-656 % 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-4-hydroxybenzoic acid56363-84-9 2-Chloro-5-hydroxybenzoic acid56961-30-9 Meta-chloroperoxybenzoic acid937-14-4

Elsewhere

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