1,3,5-Trinitrobenzene-phenanthrene(1:1)
Basic information
- CAS
6268-70-8- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.c1ccc2c(c1)ccc1ccccc12- InChIKey
JGEHTTISKLXXDY-UHFFFAOYSA-N- Molecular formula
- C20H13N3O6
- Average molar mass
- 391.3 g/mol
- Monoisotopic mass
- 391.08043514
Names & identifiers
- Preferred name
- 1,3,5-Trinitrobenzene-phenanthrene(1:1)
- IUPAC
- phenanthrene;1,3,5-trinitrobenzene
Names & synonyms
6268-70-81,3,5-trinitrobenzene- phenanthrene(1:1)NSC36289DTXSID10284238NSC-36289Phenanthrene--1,3,5-trinitrobenzene (1/1)
Database identifiers
- CAS
6268-70-8- PubChem CID
- 235192
- DTXSID
DTXSID10284238
Properties
Computed structural properties
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 403
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Compound notes
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