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Home > Fluorides > 114164-97-5
114164-97-5 | 1H-Benzimidazole, 2-methyl-6-(trifluoromethoxy)-
CAS No: 114164-97-5 Catalog No: AG000AOZ MDL No:MFCD06659813
Product Description
Catalog Number:
AG000AOZ
Chemical Name:
1H-Benzimidazole, 2-methyl-6-(trifluoromethoxy)-
CAS Number:
114164-97-5
Molecular Formula:
C9H7F3N2O
Molecular Weight:
216.1599
MDL Number:
MFCD06659813
IUPAC Name:
2-methyl-6-(trifluoromethoxy)-1H-benzimidazole
InChI:
InChI=1S/C9H7F3N2O/c1-5-13-7-3-2-6(4-8(7)14-5)15-9(10,11)12/h2-4H,1H3,(H,13,14)
InChI Key:
BSROJRWZJKELNS-UHFFFAOYSA-N
SMILES:
Cc1nc2c([nH]1)cc(cc2)OC(F)(F)F
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.163g/mol
Monoisotopic Mass:
216.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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