Basic information
- CAS
66903-21-7- Standard SMILES
O=[N+]([O-])c1cc(O)c(-c2ccccc2)c([N+](=O)[O-])c1- InChIKey
OSOFRXFHWWCPBD-UHFFFAOYSA-N- Molecular formula
- C12H8N2O5
- Average molar mass
- 260.2 g/mol
- Monoisotopic mass
- 260.04332136
Names & identifiers
- Preferred name
- 2-Biphenylol, 4,6-dinitro-
- IUPAC
- 3,5-dinitro-2-phenylphenol
- English name
- 4,6-DINITRO-ORTHO-OXYDIPHENYL
- Molecular formula
- C12H8N2O5
- Molecular weight
- 260.2
Names & synonyms
Dinitro-oxydiphenyl [French]2-BIPHENYLOL, 4,6-DINITRO-Dinitro-oxydiphenylDinitro-4,6 o-oxydiphenylDinitro-4,6 o-oxydiphenyl [French]66903-21-7DTXSID20217052RefChem:256663DTXCID201395434,6-Dinitro[1,1'-biphenyl]-2-ol4,6-DINITRO-ORTHO-OXYDIPHENYL4,6-Dinitro-1,1'-biphenyl-2-ol
Database identifiers
- CAS
66903-21-7- PubChem CID
- 48366
- DTXSID
DTXSID20217052- Nikkaji
- J79.034F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Boiling point
- 402.402 · 402.402±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.471 · 1.471±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.71 · 6.710±0.24(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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