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89725-16-6 | 1H-Benzimidazole-5-sulfonamide, 6-chloro-2-(hydroxymethyl)-
CAS No: 89725-16-6 Catalog No: AG00430G MDL No:
Product Description
Catalog Number:
AG00430G
Chemical Name:
1H-Benzimidazole-5-sulfonamide, 6-chloro-2-(hydroxymethyl)-
CAS Number:
89725-16-6
Molecular Formula:
C8H8ClN3O3S
Molecular Weight:
261.6854
IUPAC Name:
6-chloro-2-(hydroxymethyl)-3H-benzimidazole-5-sulfonamide
InChI:
InChI=1S/C8H8ClN3O3S/c9-4-1-5-6(12-8(3-13)11-5)2-7(4)16(10,14)15/h1-2,13H,3H2,(H,11,12)(H2,10,14,15)
InChI Key:
VRRUGHIYTFEGCB-UHFFFAOYSA-N
SMILES:
OCc1[nH]c2c(n1)cc(c(c2)Cl)S(=O)(=O)N
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.997g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
261.68g/mol
Monoisotopic Mass:
260.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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