chempirical

Flurbiprofen axetil

C19H19FO4CAS 91503-79-6330.36 g/mol

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OOOOF
AcetalAryl halideEster

Properties

Molecular formula
C19H19FO4
Molar mass
330.36 g/mol
Exact mass
330.1267 Da
Boiling point
174 °C (at 0.8 Torr)
logP
4.05Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Identifiers

CAS number
91503-79-6
SMILES
CC(=O)OC(C)OC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1
InChIKey
ALIVXCSEERJYHU-UHFFFAOYSA-N
InChI
InChI=1S/C19H19FO4/c1-12(19(22)24-14(3)23-13(2)21)16-9-10-17(18(20)11-16)15-7-5-4-6-8-15/h4-12,14H,1-3H3

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Names and synonyms

5 names
  • [1,1′-Biphenyl]-4-acetic acid, 2-fluoro-α-methyl-, 1-(acetyloxy)ethyl ester
  • LFP 83
  • 1-Acetoxyethyl 2-(2-fluoro-4-biphenylyl)propionate
  • Ropiopn
  • 1-Acetoxyethyl 2-(2-fluoro-[1,1′-biphenyl]-4-yl)propanoate

Work with Flurbiprofen axetil

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

Flurbiprofen5104-49-457 % similar (-)-Flurbiprofen51543-40-957 % similar Flurbiprofen sodium56767-76-154 % similar 1-Phenylethyl acetate93-92-538 % similar Phenylmethanediol diacetate581-55-537 % similar O-Acetylmandeloyl chloride1638-63-736 % similar (-)-O-Acetylmandelic acid51019-43-336 % similar O-Acetylmandelic acid5438-68-636 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook