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Home > Nitro Compounds > 68003-39-4
68003-39-4 | N-ETHYL-4-NITRO-N-PHENYLTOLUENE-2-SULPHONAMIDE
CAS No: 68003-39-4 Catalog No: AG005NX8 MDL No:
Product Description
Catalog Number:
AG005NX8
Chemical Name:
N-ETHYL-4-NITRO-N-PHENYLTOLUENE-2-SULPHONAMIDE
CAS Number:
68003-39-4
Molecular Formula:
C15H16N2O4S
Molecular Weight:
320.3635
IUPAC Name:
N-ethyl-2-methyl-5-nitro-N-phenylbenzenesulfonamide
InChI:
InChI=1S/C15H16N2O4S/c1-3-16(13-7-5-4-6-8-13)22(20,21)15-11-14(17(18)19)10-9-12(15)2/h4-11H,3H2,1-2H3
InChI Key:
BLAXIVFXXRDMRT-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])c1ccccc1
EC Number:
268-122-9
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.363g/mol
Monoisotopic Mass:
320.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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