5-Bromo-2-methoxybenzoic acid

C₈H₇BrO₃CAS 2476-35-9231.04 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: 121 °C
logP: 2.16Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

2476-35-9

SMILES

COc1ccc(Br)cc1C(=O)O

InChIKey

JFDUXZIRWBYBAQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

5 names

Benzoic acid, 5-bromo-2-methoxy-
o-Anisic acid, 5-bromo-
5-Bromo-o-anisic acid
2-Methoxy-5-bromobenzoic acid
Benzoic acid, 3-(bromocarbonyl)-4-methoxy-

Work with 5-Bromo-2-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

4-Methoxy-1,3-benzenedicarboxylic acid2206-43-167 % similar 2,5-Dimethoxybenzoic acid2785-98-067 % similar 5-Chloro-2-methoxybenzoic acid3438-16-263 % similar 4-Bromophthalic acid6968-28-162 % similar 2,4,5-Trimethoxybenzoic acid490-64-260 % similar 2-Amino-5-bromobenzoic acid5794-88-759 % similar O-Anisic acid579-75-958 % similar 2,5-Dibromobenzoic acid610-71-958 % 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 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 4-Bromomandelic acid6940-50-7

Elsewhere

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