3-Bromo-4-methoxybenzoic acid

C₈H₇BrO₃CAS 99-58-1231.04 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₈H₇BrO₃
Molar mass: 231.04 g/mol
Exact mass: 229.9579 Da
Melting point: 217–218 °C
logP: 2.16Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

99-58-1

SMILES

COc1ccc(C(=O)O)cc1Br

InChIKey

BBPZABXVRBFWGD-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrO3/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

4 names

Benzoic acid, 3-bromo-4-methoxy-
p-Anisic acid, 3-bromo-
3-BromoAnisic acid
3-Bromo-p-anisic acid

Work with 3-Bromo-4-methoxybenzoic 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

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 3-Chloro-4-methoxybenzoic acid37908-96-663 % similar 3-Fluoro-4-methoxybenzoic acid403-20-363 % similar 3-Methoxy-4-methylbenzoic acid7151-68-061 % similar 4-(1,1-Dimethylethyl)-3-methoxybenzoic acid79822-46-160 % similar

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

Same formula

Methyl 4-bromo-3-hydroxybenzoate106291-80-9 2-(4-Bromophenoxy)acetic acid1878-91-7 2-Bromo-5-methoxybenzoic acid22921-68-2 5-Bromo-2-methoxybenzoic acid2476-35-9 2-Bromo-5-hydroxy-4-methoxybenzaldehyde2973-59-3 5-Bromovanillin2973-76-4 3-Bromo-4-hydroxyphenylacetic acid38692-80-7 5-Bromo-2-hydroxybenzoic acid methyl ester4068-76-2

Elsewhere

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