tert-butyl 2-chloranyl-5-(trifluoromethyl)benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 2-chloranyl-5-(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: tert-butyl 2-chloro-5-(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 2-chloro-5-(trifluoromethyl)-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-chloro-5-(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 2-chloro-5-(trifluoromethyl)benzimidazole-1-carboxylic acid tert-butyl ester Formula: C13H12ClF3N2O2 MolecularWeight: 320.69479

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C(F)(F)F)N=C1Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C(F)(F)F)N=C1Cl

InChI

InChI=1S/C13H12ClF3N2O2/c1-12(2,3)21-11(20)19-9-5-4-7(13(15,16)17)6-8(9)18-10(19)14/h4-6H,1-3H3