2-Bromo-4-methoxybenzeneacetic acid

C₉H₉BrO₃CAS 66916-99-2245.07 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₉H₉BrO₃
Molar mass: 245.07 g/mol
Exact mass: 243.9735 Da
logP: 2.08Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

66916-99-2

SMILES

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

InChIKey

XQELSBAAFMYSMG-UHFFFAOYSA-N

InChI

InChI=1S/C9H9BrO3/c1-13-7-3-2-6(4-9(11)12)8(10)5-7/h2-3,5H,4H2,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

3 names

Benzeneacetic acid, 2-bromo-4-methoxy-
2-Bromo-4-methoxyphenylacetic acid
2-(2-Bromo-4-methoxyphenyl)acetic acid

Work with 2-Bromo-4-methoxybenzeneacetic 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

2,5-Dimethoxyphenylacetic acid1758-25-465 % similar 2-Carboxy-4-methoxybenzeneacetic acid52962-25-164 % similar 2-Bromo-4-chlorobenzeneacetic acid52864-56-959 % similar 2-Bromo-4-fluorobenzeneacetic acid61150-59-259 % similar 5-Methoxyindoleacetic acid3471-31-658 % similar 7-Methoxy-1-naphthaleneacetic acid6836-22-258 % similar (4-Methoxyphenyl)acetic acid104-01-856 % similar 6-Methoxy-2-naphthylacetic acid23981-47-756 % similar

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

Same formula

Methyl 4-bromo-2-methoxybenzoate139102-34-4 4-Bromo-3,5-dimethoxybenzaldehyde31558-40-4 Methyl 2-bromo-5-methoxybenzoate35450-36-3 6-Bromoveratraldehyde5392-10-9 3-Bromo-4,5-dimethoxybenzaldehyde6948-30-7

Elsewhere

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