chempirical

3-Bromophenylacetic acid

C8H7BrO2CAS 1878-67-7215.05 g/mol

Open in Covalent MOL file
OHOBr
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H7BrO2
Molar mass
215.05 g/mol
Exact mass
213.9629 Da
Melting point
100–102 °C
logP
2.08Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
1878-67-7
SMILES
O=C(O)Cc1cccc(Br)c1
InChIKey
KYNNBXCGXUOREX-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

Weigh it out

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

Names and synonyms

5 names
  • Benzeneacetic acid, 3-bromo-
  • Acetic acid, (m-bromophenyl)-
  • 3-Bromobenzeneacetic acid
  • (m-Bromophenyl)acetic acid
  • 2-(3-Bromophenyl)acetic acid

Work with 3-Bromophenylacetic 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

1,3-Benzenediacetic acid19806-17-872 % similar 3-(3-Bromophenyl)propionic acid42287-90-171 % similar (3-Chlorophenyl)acetic acid1878-65-562 % similar 3-Fluorophenylacetic acid331-25-962 % similar 3′-Hydroxyphenylacetic acid621-37-462 % similar (3-Aminophenyl)acetic acid14338-36-460 % similar (3-Methylphenyl)acetic acid621-36-360 % similar Phenylacetic acid103-82-258 % similar

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

Same formula

5′-Bromo-2′-hydroxyacetophenone1450-75-5 2-Bromophenylacetic acid18698-97-0 4-Bromophenylacetic acid1878-68-8 2-Bromo-1-(2-hydroxyphenyl)ethanone2491-36-3 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-4 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-5 5-Bromo-2-methoxybenzaldehyde25016-01-7 3-Bromo-5-methoxybenzaldehyde262450-65-7

Elsewhere

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