chempirical

2-(4-Fluorobenzoyl)benzoic acid

C14H9FO3CAS 7649-92-5244.22 g/mol

Open in Covalent MOL file
OHOOF
Aryl halideCarboxylic acidKetone

Properties

Molecular formula
C14H9FO3
Molar mass
244.22 g/mol
Exact mass
244.0536 Da
Melting point
120–123 °C
logP
2.75Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
7649-92-5
SMILES
O=C(O)c1ccccc1C(=O)c1ccc(F)cc1
InChIKey
FJAZVXUPZQSZKI-UHFFFAOYSA-N
InChI
InChI=1S/C14H9FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)

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Names and synonyms

6 names
  • Benzoic acid, 2-(4-fluorobenzoyl)-
  • Benzoic acid, o-(p-fluorobenzoyl)-
  • 2-(p-Fluorobenzoyl)benzoic acid
  • o-(p-Fluorobenzoyl)benzoic acid
  • 2-(4-Fluorophenylcarbonyl)benzoic acid
  • NSC 111165

Work with 2-(4-Fluorobenzoyl)benzoic 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-Benzoylbenzoic acid85-52-972 % similar 2-(4-Hydroxybenzoyl)benzoic acid85-57-469 % similar 2-(4-Methylbenzoyl)benzoic acid85-55-267 % similar 2-(4-Chlorobenzoyl)benzoic acid85-56-367 % similar 2,4′-Difluorobenzophenone342-25-663 % similar 2-(4-Methoxybenzoyl)benzoic acid1151-15-162 % similar (2-Chlorophenyl)(4-fluorophenyl)methanone1806-23-159 % similar 4′-Fluoro[1,1′-biphenyl]-2-carboxylic acid1841-57-259 % similar

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

Elsewhere

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