5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furancarboxylic acid

C₁₂H₆ClF₃O₃CAS 175276-60-5290.62 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

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

2 names

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

Work with 5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furancarboxylic 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)-3-furancarbonyl chloride175276-61-670 % similar 4-Chloro-2-(trifluoromethyl)benzoic acid142994-09-053 % similar 5-Chloro-2-(trifluoromethyl)benzoic acid654-98-853 % similar 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid33282-22-348 % similar 2-Chloro-5-(trifluoromethyl)benzoic acid657-06-747 % similar 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid98534-80-645 % similar 4-Chlorophthalic acid89-20-344 % similar 5-Chloro-2-fluorobenzoic acid394-30-943 % similar

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

Elsewhere

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