3-(4-Bromo-2-fluorophenyl)-2-propenoic acid

C₉H₆BrFO₂CAS 149947-19-3245.05 g/mol

Open in Covalent MOL file

Alkene Aryl halide Carboxylic acid

Properties

Molecular formula: C₉H₆BrFO₂
Molar mass: 245.05 g/mol
Exact mass: 243.9535 Da
logP: 2.69Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

149947-19-3

SMILES

O=C(O)C=Cc1ccc(Br)cc1F

InChIKey

SVJGKQYKYNDYMU-UHFFFAOYSA-N

InChI

InChI=1S/C9H6BrFO2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)

Weigh it out

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

Names and synonyms

2 names

2-Propenoic acid, 3-(4-bromo-2-fluorophenyl)-
4-Bromo-2-fluorocinnamic acid

Work with 3-(4-Bromo-2-fluorophenyl)-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-(4-Chloro-2-fluorophenyl)-2-propenoic acid202982-65-865 % similar (2E)-3-(4-Chloro-2-fluorophenyl)-2-propenoic acid312693-55-365 % similar 3-(2-Fluorophenyl)-2-propenoic acid451-69-461 % similar trans-2,5-Difluorocinnamic acid112898-33-657 % similar (2E)-3-(3-Bromophenyl)-2-propenoic acid14473-91-757 % similar 3-(2,3,4-Trifluorophenyl)-2-propenoic acid207742-85-657 % similar 3-(3-Bromophenyl)-2-propenoic acid32862-97-857 % similar 4-Bromocinnamic acid1200-07-355 % similar

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

Same formula

3-(3-Bromo-4-fluorophenyl)-2-propenoic acid160434-49-1 3-(2-Bromo-5-fluorophenyl)-2-propenoic acid202865-70-1 3-(5-Bromo-2-fluorophenyl)-2-propenoic acid202865-71-2

Elsewhere

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