C1=C(C(=CC(=C1O)O)[N+](=O)[O-])[N+](=O)[O-]
CAS: 77400-30-7
Name: 4,5-dinitrobenzene-1,2-diol
SMILES: C1=C(C(=CC(=C1O)O)[N+](=O)[O-])[N+](=O)[O-]

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

InChIKey: ZUWVFOJZGCLEKC-UHFFFAOYSA-N
Synonyms
77400-30-74,5-dinitrobenzene-1,2-diolDTXSID20556892RefChem:285551DTXCID905076744,5-DINITROCATECHOLMFCD00031283C6H4N2O64,5-DINITROCATECHOL, 50% SOLN. IN METHANOL4,5-Dinitropyrocatechol; 4,5-Dinitro-1,2-benzenediol; 1,2-Dihydroxy-4,5-dinitrobenzene; 4,5-Dihydroxy-1,2-dinitrobenzeneSCHEMBL708584,5-Dinitro-1,2-benzenediol1,2-Benzenediol,4,5-dinitro-4,5-dihydroxy1,2-dinitrobenzeneZUWVFOJZGCLEKC-UHFFFAOYSA-N1,2-Dihydroxy-4,5-dinitrobenzene4,5-dihydroxy-1,2-dinitrobenzene1,2-Dihydroxy-4,5 -dinitrobenzeneSTL115522AKOS005266483SB38707DB-252918CS-0341617
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Involved in 19 reactions→

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