3-Chlorosalicylic acid

C₇H₅ClO₃CAS 1829-32-9172.56 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
Density: 0.863 g/mL (at 20 °C)
Melting point: 180–182 °C
logP: 1.74Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

1829-32-9

SMILES

O=C(O)c1cccc(Cl)c1O

InChIKey

PPINMMULCRBDOS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 3-chloro-2-hydroxy-
Salicylic acid, 3-chloro-
3-Chloro-2-hydroxybenzoic acid
NSC 18854

Work with 3-Chlorosalicylic 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

2,3-Dihydroxybenzoic acid303-38-865 % similar 2,3-Dichlorobenzoic acid50-45-365 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-164 % similar 4,5-Dichlorophthalic acid56962-08-464 % similar 3,5-Dichlorosalicylic acid320-72-964 % similar 2,3-Dihydroxy-1,4-benzenedicarboxylic acid19829-72-261 % similar 3-Aminosalicylic acid570-23-061 % similar 2-Amino-3-chlorobenzoic acid6388-47-261 % similar

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

Same formula

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 2-Chloro-6-hydroxybenzoic acid56961-31-0 Meta-chloroperoxybenzoic acid937-14-4

Elsewhere

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