chempirical

5-(4-Chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid

C12H6ClF3O3CAS 175276-60-5290.62 g/mol

Open in Covalent MOL file
OHOClOFFF
Alkyl halideAryl halideCarboxylic acid

Properties

Molecular formula
C12H6ClF3O3
Molar mass
290.62 g/mol
Exact mass
289.9958 Da
logP
4.32Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 2
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
175276-60-5
SMILES
O=C(O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F
InChIKey
BQUIEVOFWHVZAW-UHFFFAOYSA-N
InChI
InChI=1S/C12H6ClF3O3/c13-7-3-1-6(2-4-7)9-5-8(11(17)18)10(19-9)12(14,15)16/h1-5H,(H,17,18)

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Names and synonyms

3 names
  • 5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furancarboxylic acid
  • 3-Furancarboxylic acid, 5-(4-chlorophenyl)-2-(trifluoromethyl)-
  • 5-(4-Chlorophenyl)-2-trifluoromethylfuran-3-carboxylic acid

Work with 5-(4-Chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic 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

5-(4-Chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl chloride175276-61-670 % similar Ethyl 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate175276-59-261 % similar 4-Chloro-2-(trifluoromethyl)benzoic acid142994-09-053 % similar 5-Chloro-2-(trifluoromethyl)benzoic acid654-98-853 % similar 5-(4-Chlorophenyl)-2-furoic acid41019-45-851 % similar 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid33282-22-348 % similar 2-Chloro-5-(trifluoromethyl)benzoic acid657-06-747 % similar 4'-Chloro-biphenyl-2-carboxylic acid7079-15-446 % similar

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

Elsewhere

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