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benzyl(2,4-dinitrophenyl)diazene

benzyl(2,4-dinitrophenyl)diazene

CAS: 1157-84-2

Formula: C13H10N4O4

SMILES: [O-][N+](=O)C1=CC=C(N=NCC2=CC=CC=C2)C(=C1)[N+]([O-])=O

IUPAC: benzyl(2,4-dinitrophenyl)diazene

InChI: InChI=1S/C13H10N4O4/c18-16(19)11-6-7-12(13(8-11)17(20)21)15-14-9-10-4-2-1-3-5-10/h1-8H,9H2

Composition: C (54.55%), H (3.52%), N (19.57%), O (22.36%)

Molar Mass: 286.247

Atom Count: 31

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 286.070204818
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey HVRUXKNLTSIZMS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.84
Topological Polar Surface Area 111
Polarizability 27.24
Ring Count 2
Rotatable Bond Count 5

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