3-(2-Bromo-5-fluorophenyl)-2-propenoic acid

C9H6BrFO2CAS 202865-70-1245.05 g/mol

Open in Covalent MOL file
OHOFBr
AlkeneAryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

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

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Identifiers

CAS number
202865-70-1
SMILES
O=C(O)C=Cc1cc(F)ccc1Br
InChIKey
AWWFJLNOEZAVHZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrFO2/c10-8-3-2-7(11)5-6(8)1-4-9(12)13/h1-5H,(H,12,13)

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Names and synonyms

2 names
  • 2-Propenoic acid, 3-(2-bromo-5-fluorophenyl)-
  • 2-Bromo-5-fluorocinnamic acid

Work with 3-(2-Bromo-5-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

trans-2,5-Difluorocinnamic acid112898-33-668 % similar 2-Bromocinnamic acid7345-79-164 % similar 3-(2-Bromophenyl)-2-propenoic acid7499-56-164 % similar 2,4-Difluorocinnamic acid774-73-263 % similar 2,4-Difluorocinnamic acid94977-52-363 % similar 2-Chloro-4-fluorocinnamic acid133220-86-760 % similar trans-4-Fluorocinnamic acid14290-86-957 % similar 3-(4-Fluorophenyl)-2-propenoic acid459-32-557 % 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-(5-Bromo-2-fluorophenyl)-2-propenoic acid202865-71-2 2-Bromo-4-fluorocinnamic acid289038-17-1

Elsewhere

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