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Home > Nitro Compounds > 332156-13-5
332156-13-5 | 4-Methyl-N-(3-nitro-benzyl)-N-(3-nitro-phenyl)-benzenesulfonamide
CAS No: 332156-13-5 Catalog No: AG01F5QX MDL No:
Product Description
Catalog Number:
AG01F5QX
Chemical Name:
4-Methyl-N-(3-nitro-benzyl)-N-(3-nitro-phenyl)-benzenesulfonamide
CAS Number:
332156-13-5
Molecular Formula:
C20H17N3O6S
Molecular Weight:
427.4305
IUPAC Name:
4-methyl-N-(3-nitrophenyl)-N-[(3-nitrophenyl)methyl]benzenesulfonamide
InChI:
InChI=1S/C20H17N3O6S/c1-15-8-10-20(11-9-15)30(28,29)21(17-5-3-7-19(13-17)23(26)27)14-16-4-2-6-18(12-16)22(24)25/h2-13H,14H2,1H3
InChI Key:
KYHVYSLIXXPYFM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N(c1cccc(c1)[N+](=O)[O-])Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
706
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.084g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.431g/mol
Monoisotopic Mass:
427.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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