Organofluorine / Alfa Chemistry
2-(Trifluoromethyl)-4-chloro-1H-benzimidazole

2-(Trifluoromethyl)-4-chloro-1H-benzimidazole

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2-(Trifluoromethyl)-4-chloro-1H-benzimidazole
Catalog OFC2338310
CAS 2338-31-0
Category Fluorinated Benzimidazoles
Synonyms 4-Chloro-2-(trifluoromethyl)-1H-benzo[d]imidazole
MDL Number MFCD01658394
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name 4-chloro-2-(trifluoromethyl)-1H-benzimidazole
InChI InChI=1S/C8H4ClF3N2/c9-4-2-1-3-5-6(4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)
InChI Key WUDKQPQAAUQCLT-UHFFFAOYSA-N
Isomeric SMILES C1=CC2=C(C(=C1)Cl)N=C(N2)C(F)(F)F
Molecular Formula C8H4ClF3N2
Molecular Weight 220.58
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 220.0015103 g/mol
Monoisotopic Mass 220.0015103 g/mol
Topological Polar Surface Area 28.7Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 221

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