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89725-19-9 | 1H-Benzimidazole-5-sulfonamide, 6-chloro-2-(dichloromethyl)-
CAS No: 89725-19-9 Catalog No: AG0042CK MDL No:
Product Description
Catalog Number:
AG0042CK
Chemical Name:
1H-Benzimidazole-5-sulfonamide, 6-chloro-2-(dichloromethyl)-
CAS Number:
89725-19-9
Molecular Formula:
C8H6Cl3N3O2S
Molecular Weight:
314.5761
IUPAC Name:
6-chloro-2-(dichloromethyl)-3H-benzimidazole-5-sulfonamide
InChI:
InChI=1S/C8H6Cl3N3O2S/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:
OWZRRENIHGAVAP-UHFFFAOYSA-N
SMILES:
ClC(c1[nH]c2c(n1)cc(c(c2)Cl)S(=O)(=O)N)Cl
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.925g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.565g/mol
Monoisotopic Mass:
312.925g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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