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99257-95-1 | BENZO[D]IMIDAZOLIUM TRIFLATE
CAS No: 99257-95-1 Catalog No: AG005SR8 MDL No:
Product Description
Catalog Number:
AG005SR8
Chemical Name:
BENZO[D]IMIDAZOLIUM TRIFLATE
CAS Number:
99257-95-1
Molecular Formula:
C8H7F3N2O3S
Molecular Weight:
268.2130
IUPAC Name:
1H-benzimidazol-3-ium;trifluoromethanesulfonate
InChI:
InChI=1S/C7H6N2.CHF3O3S/c1-2-4-7-6(3-1)8-5-9-7;2-1(3,4)8(5,6)7/h1-5H,(H,8,9);(H,5,6,7)
InChI Key:
IWYHWZTYVNIDAE-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)[nH+]c[nH]2.[O-]S(=O)(=O)C(F)(F)F
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.013g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.21g/mol
Monoisotopic Mass:
268.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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