chempirical

5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furancarbonyl chloride

C12H5Cl2F3O2CAS 175276-61-6309.07 g/mol

Open in Covalent MOL file
OClClOFFF
Acyl halideAlkyl halideAryl halide

Properties

Molecular formula
C12H5Cl2F3O2
Molar mass
309.07 g/mol
Exact mass
307.9619 Da
logP
5.00Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
175276-61-6
SMILES
O=C(Cl)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F
InChIKey
FOMUAOFXECJYNX-UHFFFAOYSA-N
InChI
InChI=1S/C12H5Cl2F3O2/c13-7-3-1-6(2-4-7)9-5-8(11(14)18)10(19-9)12(15,16)17/h1-5H

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Names and synonyms

2 names
  • 3-Furancarbonyl chloride, 5-(4-chlorophenyl)-2-(trifluoromethyl)-
  • 5-(4-Chlorophenyl)-2-trifluoromethylfuran-3-carbonyl chloride

Work with 5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furancarbonyl chloride

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-furancarboxylic acid175276-60-570 % similar 5-Chloro-2-fluorobenzoyl chloride394-29-642 % similar 4-Chloro-2-fluorobenzoyl chloride394-39-842 % similar 2,5-Dichlorobenzoyl chloride2905-61-541 % similar 2,4-Dichlorobenzoyl chloride89-75-841 % similar 2-(Trifluoromethyl)benzoyl chloride312-94-740 % similar 2-Fluoro-4-(trifluoromethyl)benzoyl chloride126917-10-040 % similar 2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-740 % similar

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

Elsewhere

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