2-Bromo-4-fluorocinnamic acid

C₉H₆BrFO₂CAS 289038-17-1245.05 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
Double bonds: EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

289038-17-1

SMILES

C1=CC(=C(C=C1F)Br)/C=C/C(=O)O

InChIKey

KCEJGSKYYLDTNE-DUXPYHPUSA-N

InChI

InChI=1S/C9H6BrFO2/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+

Weigh it out

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Work with 2-Bromo-4-fluorocinnamic 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

2,4-Difluorocinnamic acid774-73-268 % similar 2-Chloro-4-fluorocinnamic acid133220-86-764 % similar 2-Bromocinnamic acid7345-79-164 % similar 3-(2-Bromophenyl)-2-propenoic acid7499-56-164 % similar trans-2,5-Difluorocinnamic acid112898-33-663 % similar trans-4-Fluorocinnamic acid14290-86-957 % similar 3-(4-Fluorophenyl)-2-propenoic acid459-32-557 % similar 2-Bromo-4-fluorobenzaldehyde59142-68-654 % similar

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

Same formula

3-(4-Bromo-2-fluorophenyl)-2-propenoic acid149947-19-3 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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