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Home > Nitro Compounds > 6269-91-6
6269-91-6 | 2-Methyl-5-nitrobenzenesulfonamide
CAS No: 6269-91-6 Catalog No: AG0033E4 MDL No:MFCD00115503
Product Description
Catalog Number:
AG0033E4
Chemical Name:
2-Methyl-5-nitrobenzenesulfonamide
CAS Number:
6269-91-6
Molecular Formula:
C7H8N2O4S
Molecular Weight:
216.2144
MDL Number:
MFCD00115503
IUPAC Name:
2-methyl-5-nitrobenzenesulfonamide
InChI:
InChI=1S/C7H8N2O4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3,(H2,8,12,13)
InChI Key:
CLXWMMGXFSZUNP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)N)C
NSC Number:
33880
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.211g/mol
Monoisotopic Mass:
216.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| 2-Methyl-5-nitro-benzene-sulfonamide. | Acta crystallographica. Section E, Structure reports online 20100101 |
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