O=[N+]([O-])c1cc([N+](=O)[O-])c(O)cc1O
Name: 4,6-dinitro-1,3-benzenediol
SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c(O)cc1O

Molecular Processing

Molecular formula
C6H4N2O6
Molecular weight
200.11
Exact mass
200.0069
XLogP
0.91
TPSA
126.74
H-bond donors
2
H-bond acceptors
6
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
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
43.08

Supplementary Information

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