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Home > Nitro Compounds > 71895-87-9
71895-87-9 | Benzenesulfonamide, 2,5-dimethyl-N-(3-nitrophenyl)-
CAS No: 71895-87-9 Catalog No: AG005F0C MDL No:
Product Description
Catalog Number:
AG005F0C
Chemical Name:
Benzenesulfonamide, 2,5-dimethyl-N-(3-nitrophenyl)-
CAS Number:
71895-87-9
Molecular Formula:
C14H14N2O4S
Molecular Weight:
306.3370
IUPAC Name:
2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide
InChI:
InChI=1S/C14H14N2O4S/c1-10-6-7-11(2)14(8-10)21(19,20)15-12-4-3-5-13(9-12)16(17)18/h3-9,15H,1-2H3
InChI Key:
RLROHLHCWSNQON-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)S(=O)(=O)Nc1cccc(c1)[N+](=O)[O-])C
Properties
Complexity:
468
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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