2-Bromophenylacetic acid

C8H7BrO2CAS 18698-97-0215.05 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
109 °C
logP
2.08Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
18698-97-0
SMILES
O=C(O)Cc1ccccc1Br
InChIKey
DWXSYDKEWORWBT-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO2/c9-7-4-2-1-3-6(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, 2-bromo-
  • Acetic acid, (o-bromophenyl)-
  • 2-Bromobenzeneacetic acid
  • o-Bromophenylacetic acid
  • 2-(2-Bromophenyl)acetic acid

Work with 2-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

1,2-Benzenediacetic acid7500-53-073 % similar 3-(2-Bromophenyl)propionic acid15115-58-968 % similar 2,5-Dibromophenylacetic acid203314-28-764 % similar (2-Hydroxyphenyl)acetic acid614-75-561 % similar 2-Bromo-4-chlorophenylacetic acid52864-56-960 % similar 2-Bromo-4-fluorobenzeneacetic acid61150-59-260 % similar 2-(2-Bromo-5-fluorophenyl)acetic acid739336-26-660 % similar 2-(2-Bromo-5-chlorophenyl)acetic acid81682-38-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5′-Bromo-2′-hydroxyacetophenone1450-75-5 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-1 3-Bromophenylacetic acid1878-67-7 4-Bromophenylacetic acid1878-68-8 2-Bromo-2'-hydroxyacetophenone2491-36-3 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-4 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-5 5-Bromo-2-methoxybenzaldehyde25016-01-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook