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175135-16-7 | 1H-Benzimidazole-2-propanol, 7-bromo-5-(trifluoromethyl)-
CAS No: 175135-16-7 Catalog No: AG00205Y MDL No:
Product Description
Catalog Number:
AG00205Y
Chemical Name:
1H-Benzimidazole-2-propanol, 7-bromo-5-(trifluoromethyl)-
CAS Number:
175135-16-7
Molecular Formula:
C11H10BrF3N2O
Molecular Weight:
323.1091
IUPAC Name:
3-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol
InChI:
InChI=1S/C11H10BrF3N2O/c12-7-4-6(11(13,14)15)5-8-10(7)17-9(16-8)2-1-3-18/h4-5,18H,1-3H2,(H,16,17)
InChI Key:
MBIDMDLISUPTFB-UHFFFAOYSA-N
SMILES:
OCCCc1nc2c([nH]1)c(Br)cc(c2)C(F)(F)F
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.993g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.113g/mol
Monoisotopic Mass:
321.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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