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1091-57-2 | 1H-Benzimidazole, 1-[(4-nitrophenyl)sulfonyl]-
CAS No: 1091-57-2 Catalog No: AG007BBX MDL No:
Product Description
Catalog Number:
AG007BBX
Chemical Name:
1H-Benzimidazole, 1-[(4-nitrophenyl)sulfonyl]-
CAS Number:
1091-57-2
Molecular Formula:
C13H9N3O4S
Molecular Weight:
303.2933
IUPAC Name:
1-(4-nitrophenyl)sulfonylbenzimidazole
InChI:
InChI=1S/C13H9N3O4S/c17-16(18)10-5-7-11(8-6-10)21(19,20)15-9-14-12-3-1-2-4-13(12)15/h1-9H
InChI Key:
GJWWYZIOACBFIF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)n1cnc2c1cccc2
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.031g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.292g/mol
Monoisotopic Mass:
303.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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