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Home > Fluorides > 131926-95-9
131926-95-9 | 1H-Benzimidazol-7-ol, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-
CAS No: 131926-95-9 Catalog No: AG000ZXM MDL No:
Product Description
Catalog Number:
AG000ZXM
Chemical Name:
1H-Benzimidazol-7-ol, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-
CAS Number:
131926-95-9
Molecular Formula:
C16H14F3N3O2S
Molecular Weight:
369.3615
IUPAC Name:
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazol-4-ol
InChI:
InChI=1S/C16H14F3N3O2S/c1-9-11(20-6-5-13(9)24-8-16(17,18)19)7-25-15-21-10-3-2-4-12(23)14(10)22-15/h2-6,23H,7-8H2,1H3,(H,21,22)
InChI Key:
OQGIYDJVVFOGGO-UHFFFAOYSA-N
SMILES:
Cc1c(nccc1OCC(F)(F)F)CSc1nc2c([nH]1)c(O)ccc2
UNII:
X1BL278S8B
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.076g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
369.362g/mol
Monoisotopic Mass:
369.076g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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