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Home > Nitro Compounds > 63228-66-0
63228-66-0 | Benzenesulfonamide, N-(4-methylphenyl)-2-nitro-
CAS No: 63228-66-0 Catalog No: AG00IB6B MDL No:MFCD00577610
Product Description
Catalog Number:
AG00IB6B
Chemical Name:
Benzenesulfonamide, N-(4-methylphenyl)-2-nitro-
CAS Number:
63228-66-0
Molecular Formula:
C13H12N2O4S
Molecular Weight:
292.3104
MDL Number:
MFCD00577610
IUPAC Name:
N-(4-methylphenyl)-2-nitrobenzenesulfonamide
InChI:
InChI=1S/C13H12N2O4S/c1-10-6-8-11(9-7-10)14-20(18,19)13-5-3-2-4-12(13)15(16)17/h2-9,14H,1H3
InChI Key:
CWUDNULMFSYIND-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
432
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:
2.7
Literature
| Title | Journal |
|---|---|
| N-(4-Methyl-phen-yl)-2-nitro-benzene-sulfonamide. | Acta crystallographica. Section E, Structure reports online 20120901 |
| N-(4-Methyl-benzo-yl)-2-nitro-benzene-sulfonamide. | Acta crystallographica. Section E, Structure reports online 20120301 |
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