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Home > Nitro Compounds > 86802-67-7
86802-67-7 | Benzenesulfonamide, N-(2-cyano-4-nitrophenyl)-
CAS No: 86802-67-7 Catalog No: AG004J3F MDL No:
Product Description
Catalog Number:
AG004J3F
Chemical Name:
Benzenesulfonamide, N-(2-cyano-4-nitrophenyl)-
CAS Number:
86802-67-7
Molecular Formula:
C13H9N3O4S
Molecular Weight:
303.2933
IUPAC Name:
N-(2-cyano-4-nitrophenyl)benzenesulfonamide
InChI:
InChI=1S/C13H9N3O4S/c14-9-10-8-11(16(17)18)6-7-13(10)15-21(19,20)12-4-2-1-3-5-12/h1-8,15H
InChI Key:
BNZUCAQJMOZLPW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1NS(=O)(=O)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
522
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:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.292g/mol
Monoisotopic Mass:
303.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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