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Home > Nitro Compounds > 79-88-9
79-88-9 | Benzenesulfonamide,2-methyl-5-nitro-N-phenyl-
CAS No: 79-88-9 Catalog No: AG0054X2 MDL No:
Product Description
Catalog Number:
AG0054X2
Chemical Name:
Benzenesulfonamide,2-methyl-5-nitro-N-phenyl-
CAS Number:
79-88-9
Molecular Formula:
C13H12N2O4S
Molecular Weight:
292.3104
IUPAC Name:
2-methyl-5-nitro-N-phenylbenzenesulfonamide
InChI:
InChI=1S/C13H12N2O4S/c1-10-7-8-12(15(16)17)9-13(10)20(18,19)14-11-5-3-2-4-6-11/h2-9,14H,1H3
InChI Key:
YBHDHKAUAAYLDS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1S(=O)(=O)Nc1ccccc1)[N+](=O)[O-]
EC Number:
201-230-6
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.309g/mol
Monoisotopic Mass:
292.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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