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89725-45-1 | 1H-Benzimidazole-5-sulfonamide, 6-chloro-2-(difluoromethyl)-
CAS No: 89725-45-1 Catalog No: AG00430D MDL No:
Product Description
Catalog Number:
AG00430D
Chemical Name:
1H-Benzimidazole-5-sulfonamide, 6-chloro-2-(difluoromethyl)-
CAS Number:
89725-45-1
Molecular Formula:
C8H6ClF2N3O2S
Molecular Weight:
281.6669
IUPAC Name:
6-chloro-2-(difluoromethyl)-3H-benzimidazole-5-sulfonamide
InChI:
InChI=1S/C8H6ClF2N3O2S/c9-3-1-4-5(2-6(3)17(12,15)16)14-8(13-4)7(10)11/h1-2,7H,(H,13,14)(H2,12,15,16)
InChI Key:
DDRLUMRMIHFIGP-UHFFFAOYSA-N
SMILES:
FC(c1[nH]c2c(n1)cc(c(c2)Cl)S(=O)(=O)N)F
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.984g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.662g/mol
Monoisotopic Mass:
280.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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