2-Bromo-5-methoxybenzoic acid

C₈H₇BrO₃CAS 22921-68-2231.04 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: 161–162 °C
logP: 2.16Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

22921-68-2

SMILES

COc1ccc(Br)c(C(=O)O)c1

InChIKey

ODHJOROUCITYNF-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrO3/c1-12-5-2-3-7(9)6(4-5)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

4 names

Benzoic acid, 2-bromo-5-methoxy-
m-Anisic acid, 6-bromo-
5-Methoxy-2-bromobenzoic acid
2-Bromo-5-(methyloxy)benzoic acid

Work with 2-Bromo-5-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-Methoxyphthalic acid1885-13-871 % similar 2,5-Dimethoxybenzoic acid2785-98-067 % similar 5-Methoxysalicylic acid2612-02-465 % similar Methyl 2-bromo-5-methoxybenzoate35450-36-363 % similar 2-Bromo-5-methoxybenzoyl chloride56658-04-963 % similar 2-Chloro-5-methoxybenzoic acid6280-89-363 % similar 4-Methoxysalicylic acid2237-36-762 % similar 2,4-Dimethoxybenzoic acid91-52-162 % similar

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

Same formula

Methyl 4-bromo-3-hydroxybenzoate106291-80-9 3-Bromo-5-methoxybenzoic acid157893-14-6 2-(4-Bromophenoxy)acetic acid1878-91-7 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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