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132877-27-1 | 1H-Benzimidazol-2-amine, 6-(trifluoromethoxy)-
CAS No: 132877-27-1 Catalog No: AG0011B0 MDL No:MFCD07778330
Product Description
Catalog Number:
AG0011B0
Chemical Name:
1H-Benzimidazol-2-amine, 6-(trifluoromethoxy)-
CAS Number:
132877-27-1
Molecular Formula:
C8H6F3N3O
Molecular Weight:
217.1479
MDL Number:
MFCD07778330
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
SMILES:
Nc1nc2c([nH]1)cc(cc2)OC(F)(F)F
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.151g/mol
Monoisotopic Mass:
217.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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