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Home > Nitro Compounds > 91431-22-0
91431-22-0 | N,N-Diethyl-4-methyl-3-nitrobenzenesulfonamide
CAS No: 91431-22-0 Catalog No: AG00IGNW MDL No:MFCD00577539
Product Description
Catalog Number:
AG00IGNW
Chemical Name:
N,N-Diethyl-4-methyl-3-nitrobenzenesulfonamide
CAS Number:
91431-22-0
Molecular Formula:
C11H16N2O4S
Molecular Weight:
272.3207
MDL Number:
MFCD00577539
IUPAC Name:
N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C11H16N2O4S/c1-4-12(5-2)18(16,17)10-7-6-9(3)11(8-10)13(14)15/h6-8H,4-5H2,1-3H3
InChI Key:
YGHFQKUPFLTGIF-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.083g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.319g/mol
Monoisotopic Mass:
272.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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