chempirical

4-Bromophenylacetic acid

C8H7BrO2CAS 1878-68-8215.05 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
116 °C
logP
2.08Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
1878-68-8
SMILES
O=C(O)Cc1ccc(Br)cc1
InChIKey
QOWSWEBLNVACCL-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

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Names and synonyms

7 names
  • Benzeneacetic acid, 4-bromo-
  • Acetic acid, (p-bromophenyl)-
  • 4-Bromobenzeneacetic acid
  • (4-Bromophenyl)acetic acid
  • (p-Bromophenyl)acetic acid
  • 2-(4-Bromophenyl)acetic acid
  • NSC 14358

Work with 4-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

1,4-Benzenediacetic acid7325-46-475 % similar 3-(4-Bromophenyl)propionic acid1643-30-769 % similar 4-Hydroxyphenylacetic acid156-38-768 % similar 4-(Bromomethyl)phenylacetic acid13737-36-566 % similar Phenylacetic acid103-82-261 % similar 4-Iodophenylacetic acid1798-06-760 % similar (4-Chlorophenyl)acetic acid1878-66-660 % similar 4-Mercaptophenylacetic acid39161-84-760 % 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 3-Bromophenylacetic acid1878-67-7 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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