chempirical

3-(2-Fluorophenyl)-2-propenoic acid

C9H7FO2CAS 451-69-4166.15 g/mol

Open in Covalent MOL file
OHOF
AlkeneAryl halideCarboxylic acid

Properties

Molecular formula
C9H7FO2
Molar mass
166.15 g/mol
Exact mass
166.0430 Da
Melting point
175 °C
logP
1.92Crippen 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. Search the SDS library

Identifiers

CAS number
451-69-4
SMILES
O=C(O)C=Cc1ccccc1F
InChIKey
IOUDZAFBPDDAMK-UHFFFAOYSA-N
InChI
InChI=1S/C9H7FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)

Weigh it out

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

Names and synonyms

7 names
  • 2-Propenoic acid, 3-(2-fluorophenyl)-
  • Cinnamic acid, o-fluoro-
  • o-Fluorocinnamic acid
  • 2-Fluorocinnamic acid
  • 3-(2-Fluorophenyl)propenoic acid
  • NSC 73989
  • 3-(2-Fluorophenyl)acrylic acid

Work with 3-(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-(2,3-Difluorophenyl)-2-propenoic acid207981-48-474 % similar trans-2,6-Difluorocinnamic acid102082-89-367 % similar trans-2,5-Difluorocinnamic acid112898-33-666 % similar 2,4-Difluorocinnamic acid774-73-266 % similar 2,4-Difluorocinnamic acid94977-52-366 % similar 2-Formylcinnamic acid130036-17-862 % similar 2,4,5-Trifluorocinnamic acid247170-17-862 % similar o-Coumaric acid583-17-562 % similar

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

Same formula

7-Fluoro-4-chromanone113209-68-0 4-Fluoro-7-hydroxy-1-indanone136191-16-7 trans-4-Fluorocinnamic acid14290-86-9 (S)-5-Fluoro-3-methylisobenzofuran-1(3H)-one1803573-19-4 (2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-6 2-Fluoro-3-phenyl-2-propenoic acid350-90-3 3-(3-Fluorophenyl)-2-propenoic acid458-46-8 3-(4-Fluorophenyl)-2-propenoic acid459-32-5

Elsewhere

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