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Home > Nitro Compounds > 78818-67-4
78818-67-4 | Diazene, (3-nitrophenyl)[phenyl(phenylhydrazono)methyl]-
CAS No: 78818-67-4 Catalog No: AG008NNN MDL No:
Product Description
Catalog Number:
AG008NNN
Chemical Name:
Diazene, (3-nitrophenyl)[phenyl(phenylhydrazono)methyl]-
CAS Number:
78818-67-4
Molecular Formula:
C19H15N5O2
Molecular Weight:
345.3547
IUPAC Name:
N'-(3-nitroanilino)-N-phenyliminobenzenecarboximidamide
InChI:
InChI=1S/C19H15N5O2/c25-24(26)18-13-7-12-17(14-18)21-23-19(15-8-3-1-4-9-15)22-20-16-10-5-2-6-11-16/h1-14,21H
InChI Key:
DFNLSHMKMVGJCG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)N=NC(=NNc1ccccc1)c1ccccc1
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.123g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.362g/mol
Monoisotopic Mass:
345.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
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