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Home > Nitro Compounds > 88918-67-6
88918-67-6 | N-Methyl-C-{4-[N'-(4-nitro-butylidene)-hydrazino]-phenyl}-methanesulfonamide
CAS No: 88918-67-6 Catalog No: AG00JSFX MDL No:
Product Description
Catalog Number:
AG00JSFX
Chemical Name:
N-Methyl-C-{4-[N'-(4-nitro-butylidene)-hydrazino]-phenyl}-methanesulfonamide
CAS Number:
88918-67-6
Molecular Formula:
C12H18N4O4S
Molecular Weight:
314.3607
IUPAC Name:
N-methyl-1-[4-[(2E)-2-(4-nitrobutylidene)hydrazinyl]phenyl]methanesulfonamide
InChI:
InChI=1S/C12H18N4O4S/c1-13-21(19,20)10-11-4-6-12(7-5-11)15-14-8-2-3-9-16(17)18/h4-8,13,15H,2-3,9-10H2,1H3/b14-8+
InChI Key:
XVEILOLOCYKHJU-RIYZIHGNSA-N
SMILES:
CNS(=O)(=O)Cc1ccc(cc1)N/N=C/CCC[N+](=O)[O-]
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
314.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.36g/mol
Monoisotopic Mass:
314.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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