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Home > Nitro Compounds > 88681-03-2
88681-03-2 | Benzenesulfonamide, N-(2,5-dimethyl-4-nitrophenyl)-
CAS No: 88681-03-2 Catalog No: AG00479O MDL No:
Product Description
Catalog Number:
AG00479O
Chemical Name:
Benzenesulfonamide, N-(2,5-dimethyl-4-nitrophenyl)-
CAS Number:
88681-03-2
Molecular Formula:
C14H14N2O4S
Molecular Weight:
306.3370
IUPAC Name:
N-(2,5-dimethyl-4-nitrophenyl)benzenesulfonamide
InChI:
InChI=1S/C14H14N2O4S/c1-10-9-14(16(17)18)11(2)8-13(10)15-21(19,20)12-6-4-3-5-7-12/h3-9,15H,1-2H3
InChI Key:
NOVDGQISQJVZGI-UHFFFAOYSA-N
SMILES:
Cc1cc([N+](=O)[O-])c(cc1NS(=O)(=O)c1ccccc1)C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.336g/mol
Monoisotopic Mass:
306.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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