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Home > Fluorides > 102625-64-9
102625-64-9 | 1H-Benzimidazole, 6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]thio]-
CAS No: 102625-64-9 Catalog No: AG0007YM MDL No:MFCD07368273
Product Description
Catalog Number:
AG0007YM
Chemical Name:
1H-Benzimidazole, 6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]thio]-
CAS Number:
102625-64-9
Molecular Formula:
C16H15F2N3O3S
Molecular Weight:
367.3704
MDL Number:
MFCD07368273
IUPAC Name:
6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-1H-benzimidazole
InChI:
InChI=1S/C16H15F2N3O3S/c1-22-13-5-6-19-12(14(13)23-2)8-25-16-20-10-4-3-9(24-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
InChI Key:
UKILEIRWOYBGEJ-UHFFFAOYSA-N
SMILES:
COc1c(nccc1OC)CSc1nc2c([nH]1)cc(cc2)OC(F)F
UNII:
BWZ6X03HIB
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.08g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.371g/mol
Monoisotopic Mass:
367.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Structural identification and characterization of potential impurities of pantoprazole sodium. | Journal of pharmaceutical and biomedical analysis 20071018 |
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