Organofluorine / Alfa Chemistry
2-Amino-5-(trifluoromethoxy)benzimidazole

2-Amino-5-(trifluoromethoxy)benzimidazole

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2-Amino-5-(trifluoromethoxy)benzimidazole
Catalog OFC132877271
CAS 132877-27-1
Category Fluorinated Benzimidazoles
Synonyms 5-(trifluoromethoxy)-1H-benzo[d]imidazol-2-amine
Purity 95%
MDL Number MFCD16660393
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name 6-(trifluoromethoxy)-1H-benzimidazol-2-amine
InChI InChI=1S/C8H6F3N3O/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H3,12,13,14)
InChI Key PKVNYLKKHHYCHH-UHFFFAOYSA-N
Isomeric SMILES C1=CC2=C(C=C1OC(F)(F)F)NC(=N2)N
Molecular Formula C8H6F3N3O
Molecular Weight 217.15
Storage Keep in dark place, inert atmosphere, room temperature
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 1
Exact Mass 217.04629631 g/mol
Monoisotopic Mass 217.04629631 g/mol
Topological Polar Surface Area 63.9Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 236

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