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Home > Nitro Compounds > 6949-23-1
6949-23-1 | 4-Methyl-3-nitrobenzenesulfonamide
CAS No: 6949-23-1 Catalog No: AG003LQP MDL No:MFCD00460611
Product Description
Catalog Number:
AG003LQP
Chemical Name:
4-Methyl-3-nitrobenzenesulfonamide
CAS Number:
6949-23-1
Molecular Formula:
C7H8N2O4S
Molecular Weight:
216.2144
MDL Number:
MFCD00460611
IUPAC Name:
4-methyl-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C7H8N2O4S/c1-5-2-3-6(14(8,12)13)4-7(5)9(10)11/h2-4H,1H3,(H2,8,12,13)
InChI Key:
HVCWTENLJRUJPU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)S(=O)(=O)N
EC Number:
230-117-4
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:
1
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