C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
CAS: 99-65-0
Nombre: 1,3-dinitrobenzene
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Molecular Processing

Molecular formula
C6H4N2O4
Molecular weight
168.11
Exact mass
168.0171
XLogP
1.5
TPSA
86.28
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
39.75

Supplementary Information

InChIKey: WDCYWAQPCXBPJA-UHFFFAOYSA-N
Sinónimos
1,3-Dinitrobenzene99-65-0M-DINITROBENZENE2,4-Dinitrobenzenemeta-DinitrobenzeneBenzene, 1,3-dinitro-1,3-DinitrobenzolBenzene, m-dinitro-m-DNBDwunitrobenzen3-dinitrobenzene1,3-Dinitro-benzeneDTXSID9024065BinitrobenzeneDK8B627BU0NSC-7189DTXCID204065CHEBI:513971,3-DNBRefChem:72751202-776-8DinitrobenzeneDINITROPHENYLENEDinitrobenzene, m-NSC 7189MFCD00007222NCGC00091351-02NCGC00091351-03Dwunitrobenzen [Polish]CAS-99-65-0
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