chempirical

4-Bromocinnamic acid

C9H7BrO2CAS 1200-07-3227.06 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
257 °C
logP
2.55Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
1200-07-3
SMILES
O=C(O)C=Cc1ccc(Br)cc1
InChIKey
CPDDDTNAMBSPRN-UHFFFAOYSA-N
InChI
InChI=1S/C9H7BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)

Weigh it out

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

Names and synonyms

6 names
  • 2-Propenoic acid, 3-(4-bromophenyl)-
  • Cinnamic acid, p-bromo-
  • 3-(4-Bromophenyl)-2-propenoic acid
  • p-Bromocinnamic acid
  • NSC 218449
  • 3-(4-Bromophenyl)acrylic acid

Work with 4-Bromocinnamic 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

P-Phenylenediacrylic acid16323-43-677 % similar P-Coumaric acid501-98-470 % similar P-Coumaric acid7400-08-070 % similar 3-(4-Formylphenyl)-2-propenoic acid23359-08-265 % similar Cinnamic acid621-82-963 % similar trans-4-Fluorocinnamic acid14290-86-963 % similar 4-Chlorocinnamic acid1615-02-763 % similar 4-Methylcinnamic acid1866-39-363 % similar

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

Same formula

(2E)-3-(3-Bromophenyl)-2-propenoic acid14473-91-7 7-Bromo-4-chromanone18442-22-3 3-(3-Bromophenyl)-2-propenoic acid32862-97-8 3-(2-Bromophenyl)-2-propenoic acid7499-56-1

Elsewhere

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