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Home > Nitro Compounds > 743440-22-4
743440-22-4 | N,N-DIETHYL-3-NITRO-4-PIPERAZIN-1-YLBENZENESULFONAMIDE
CAS No: 743440-22-4 Catalog No: AG00FC67 MDL No:MFCD05262728
Product Description
Catalog Number:
AG00FC67
Chemical Name:
N,N-DIETHYL-3-NITRO-4-PIPERAZIN-1-YLBENZENESULFONAMIDE
CAS Number:
743440-22-4
Molecular Formula:
C14H22N4O4S
Molecular Weight:
342.4139
MDL Number:
MFCD05262728
IUPAC Name:
N,N-diethyl-3-nitro-4-piperazin-1-ylbenzenesulfonamide
InChI:
InChI=1S/C14H22N4O4S/c1-3-17(4-2)23(21,22)12-5-6-13(14(11-12)18(19)20)16-9-7-15-8-10-16/h5-6,11,15H,3-4,7-10H2,1-2H3
InChI Key:
ODNKDPUHYONPMH-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCNCC1)CC
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.414g/mol
Monoisotopic Mass:
342.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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