C1=CC(=C(C(=C1)[N+](=O)[O-])C#N)[N+](=O)[O-]
CAS: 35213-00-4
Nom: 2,6-dinitrobenzonitrile
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C#N)[N+](=O)[O-]

Molecular Processing

Molecular formula
C7H3N3O4
Molecular weight
193.12
Exact mass
193.0124
XLogP
1.37
TPSA
110.07
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
44.47

Supplementary Information

InChIKey: ZYDGHQSJZAFMLU-UHFFFAOYSA-N
Synonymes
35213-00-4DinitrobenzonitrileDTXSID80188714RefChem:920363DTXCID401112052,6-DinitrobenzonitrileBenzonitrile, 2,6-dinitro-MFCD000412462,6-dinitro-benzonitrile2,6-dinitrobenzenecarbonitrile26-Dinitrobenzonitrile2,6-dinitrobenznitrile2.6-Dinitrobenzonitril2,6 dinitrobenzonitrile2,6-dini trobenzonitrileSCHEMBL618153SCHEMBL48941002 pound not6-DinitrobenzonitrileAKOS015891534FD70203AS-31213SY002486DB-024407CS-0132605ST50827635EN300-94974F446286Dinitrobenzonitrile, 2,6-Dinitrobenzonitrile, Benzonitrile, 2,6-dinitro-, CID520718, ZINC02390146, 35213-00-4
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→