3-Chloro-p-anisic acid

C₈H₇ClO₃CAS 37908-96-6186.59 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

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

Hazards

Danger

H301 Toxic if swallowed87% of notifiers
H315 Causes skin irritation13% of notifiers
H319 Causes serious eye irritation15.2% of notifiers
H335 May cause respiratory irritation10.9% of notifiers
H400 Very toxic to aquatic life87% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

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

3 names

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

Work with 3-Chloro-p-anisic 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

4-Chloro-3-methoxybenzoic acid85740-98-377 % similar Veratric acid93-07-271 % similar 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-167 % similar 3-Amino-4-methoxybenzoic acid2840-26-865 % similar Isovanillic acid645-08-965 % similar 4-Methoxy-3-methylbenzoic acid6880-04-265 % similar 3-Chloro-4-hydroxy-5-methoxybenzoic acid62936-23-664 % similar Methyl 3-chloro-p-anisate37908-98-863 % similar

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

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 2-Chloro-4-methoxybenzoic acid21971-21-1 (R)-2-(4-Chlorophenyl)-2-hydroxyethanoic acid32189-36-9 3-Chloro-2-methoxybenzoic acid3260-93-3 3-Chloro-4-hydroxyphenylacetic acid33697-81-3

Elsewhere

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