4,5-Dimethylphenanthrene; 2,4,6-trinitrophenol
Basic information
- CAS
6671-11-0- Standard SMILES
Cc1cccc2ccc3cccc(C)c3c12.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
DVHVQAGAFDVYLX-UHFFFAOYSA-N- Molecular formula
- C22H17N3O7
- Average molar mass
- 435.4 g/mol
- Monoisotopic mass
- 435.10664989
Names & identifiers
- Preferred name
- 4,5-Dimethylphenanthrene; 2,4,6-trinitrophenol
- IUPAC
- 4,5-dimethylphenanthrene;2,4,6-trinitrophenol
Names & synonyms
6671-11-04,5-dimethylphenanthrene; 2,4,6-trinitrophenolNSC408560DTXSID20325080NSC-408560DS-0051432,4,6-Trinitrophenol--4,5-dimethylphenanthrene (1/1)
Database identifiers
- CAS
6671-11-0- PubChem CID
- 349013
- DTXSID
DTXSID20325080
Properties
Computed structural properties
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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