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Home > Nitro Compounds > 871880-75-0
871880-75-0 | Benzenesulfonamide, N-butyl-3-nitro-N-phenyl-
CAS No: 871880-75-0 Catalog No: AG004K1R MDL No:
Product Description
Catalog Number:
AG004K1R
Chemical Name:
Benzenesulfonamide, N-butyl-3-nitro-N-phenyl-
CAS Number:
871880-75-0
Molecular Formula:
C16H18N2O4S
Molecular Weight:
334.3901
IUPAC Name:
N-butyl-3-nitro-N-phenylbenzenesulfonamide
InChI:
InChI=1S/C16H18N2O4S/c1-2-3-12-17(14-8-5-4-6-9-14)23(21,22)16-11-7-10-15(13-16)18(19)20/h4-11,13H,2-3,12H2,1H3
InChI Key:
QBEBZDKDBBFJBG-UHFFFAOYSA-N
SMILES:
CCCCN(S(=O)(=O)c1cccc(c1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.099g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.39g/mol
Monoisotopic Mass:
334.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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