chempirical

3-(2-Bromophenyl)-2-propenoic acid

C9H7BrO2CAS 7499-56-1227.06 g/mol

Open in Covalent MOL file
OHOBr
AlkeneAryl halideCarboxylic acid

Properties

Molecular formula
C9H7BrO2
Molar mass
227.06 g/mol
Exact mass
225.9629 Da
Melting point
84–86 °C
logP
2.55Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
7499-56-1
SMILES
O=C(O)C=Cc1ccccc1Br
InChIKey
OMHDOOAFLCMRFX-UHFFFAOYSA-N
InChI
InChI=1S/C9H7BrO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)

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Names and synonyms

6 names
  • 2-Propenoic acid, 3-(2-bromophenyl)-
  • Cinnamic acid, o-bromo-
  • o-Bromocinnamic acid
  • 2-Bromocinnamic acid
  • NSC 407679
  • 3-(2-Bromophenyl)acrylic acid

Work with 3-(2-Bromophenyl)-2-propenoic 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

3-(2-Bromo-5-fluorophenyl)-2-propenoic acid202865-70-164 % similar 2-Formylcinnamic acid130036-17-864 % similar O-Coumaric acid583-17-564 % similar O-Coumaric acid614-60-864 % similar 2-Methylcinnamic acid2373-76-462 % similar 2-Chlorocinnamic acid3752-25-862 % similar 3-(2-Fluorophenyl)-2-propenoic acid451-69-462 % similar trans-2-Methoxycinnamic acid1011-54-761 % similar

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

Same formula

4-Bromocinnamic acid1200-07-3 (2E)-3-(3-Bromophenyl)-2-propenoic acid14473-91-7 3-(3-Bromophenyl)-2-propenoic acid32862-97-8

Elsewhere

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