Basic information
- CAS
100527-20-6- Standard SMILES
O=[N+]([O-])c1ccc2ccc3ccc([N+](=O)[O-])cc3c2c1- InChIKey
QLKQQDNTUYZGPA-UHFFFAOYSA-N- Molecular formula
- C14H8N2O4
- Average molar mass
- 268.22 g/mol
- Monoisotopic mass
- 268.04840674
Names & identifiers
- Preferred name
- Phenanthrene, 3,6-dinitro-
- IUPAC
- 3,6-dinitrophenanthrene
- English name
- 3,6-DINITROPHENANTHRENE
- Molecular weight
- 0
Names & synonyms
3,6-Dinitrophenanthrene100527-20-6Phenanthrene, 3,6-dinitro-CCRIS 7655DTXSID40143369RefChem:368551DTXCID4065860
Database identifiers
- CAS
100527-20-6- PubChem CID
- 150548
- DTXSID
DTXSID40143369- Nikkaji
- J639.196F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 411.39 °C · 411.39°C (rough estimate)
- Density
- 1.314 · 1.3140 (rough estimate)
- refractive index
- 1.591 · 1.5910 (estimate)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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