3-Chloro-4-methoxybenzoic acid

C₈H₇ClO₃CAS 37908-96-6186.59 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Halogen

Properties

Molecular formula: C₈H₇ClO₃
Molar mass: 186.59 g/mol
Exact mass: 186.0084 Da
Melting point: 213 °C
logP: 2.05Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

37908-96-6

SMILES

COc1ccc(C(=O)O)cc1Cl

InChIKey

IBCQUQXCTOPJOD-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 3-chloro-4-methoxy-
N-(3-Chloro-4-methoxyphenyl)carbamic acid

Work with 3-Chloro-4-methoxybenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

2-Chloromandelic acid10421-85-9 4-Chlorophenoxyacetic acid122-88-3 3-Chloromandelic acid16273-37-3 3-Chloro-4-hydroxy-5-methoxybenzaldehyde19463-48-0 3-Chloro-2-methoxybenzoic acid3260-93-3 3-Chloro-4-hydroxyphenylacetic acid33697-81-3 5-Chloro-2-methoxybenzoic acid3438-16-2 Methyl 3-chloro-4-hydroxybenzoate3964-57-6

Elsewhere

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