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10057-46-2 | 1H-Benzimidazol-2-amine, 6-(trifluoromethyl)-
CAS No: 10057-46-2 Catalog No: AG0002DE MDL No:MFCD16660394
Product Description
Catalog Number:
AG0002DE
Chemical Name:
1H-Benzimidazol-2-amine, 6-(trifluoromethyl)-
CAS Number:
10057-46-2
Molecular Formula:
C8H6F3N3
Molecular Weight:
201.1485
MDL Number:
MFCD16660394
IUPAC Name:
6-(trifluoromethyl)-1H-benzimidazol-2-amine
InChI:
InChI=1S/C8H6F3N3/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H3,12,13,14)
InChI Key:
CKIJAMRTNUPVAH-UHFFFAOYSA-N
SMILES:
Nc1nc2c([nH]1)cc(cc2)C(F)(F)F
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.152g/mol
Monoisotopic Mass:
201.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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