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Home > Nitro Compounds > 78818-66-3
78818-66-3 | Diazene, [(2-nitrophenyl)(phenylhydrazono)methyl]phenyl-
CAS No: 78818-66-3 Catalog No: AG005PH4 MDL No:
Product Description
Catalog Number:
AG005PH4
Chemical Name:
Diazene, [(2-nitrophenyl)(phenylhydrazono)methyl]phenyl-
CAS Number:
78818-66-3
Molecular Formula:
C19H15N5O2
Molecular Weight:
345.3547
IUPAC Name:
N'-anilino-2-nitro-N-phenyliminobenzenecarboximidamide
InChI:
InChI=1S/C19H15N5O2/c25-24(26)18-14-8-7-13-17(18)19(22-20-15-9-3-1-4-10-15)23-21-16-11-5-2-6-12-16/h1-14,20H
InChI Key:
RBKITYBVHGLSLB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1C(=NNc1ccccc1)N=Nc1ccccc1
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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