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Home > Nitro Compounds > 22952-19-8
22952-19-8 | 2-methyl-4-nitrobenzene-1-sulfonamide
CAS No: 22952-19-8 Catalog No: AG019W8J MDL No:MFCD00828709
Product Description
Catalog Number:
AG019W8J
Chemical Name:
2-methyl-4-nitrobenzene-1-sulfonamide
CAS Number:
22952-19-8
Molecular Formula:
C7H8N2O4S
Molecular Weight:
216.2144
MDL Number:
MFCD00828709
IUPAC Name:
2-methyl-4-nitrobenzenesulfonamide
InChI:
InChI=1S/C7H8N2O4S/c1-5-4-6(9(10)11)2-3-7(5)14(8,12)13/h2-4H,1H3,(H2,8,12,13)
InChI Key:
KVRWKUUAOATUGG-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1S(=O)(=O)N)[N+](=O)[O-]
NSC Number:
212234
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
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