Basic information
- CAS
6945-05-7- Standard SMILES
Cc1ccc2cc(C)ccc2c1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
WIRKAZJNAORUKO-UHFFFAOYSA-N- Molecular formula
- C18H15N3O7
- Average molar mass
- 385.3 g/mol
- Monoisotopic mass
- 385.09099983
Names & identifiers
- Preferred name
- 2,6-Dimethylnaphthalene; 2,4,6-trinitrophenol
- IUPAC
- 2,6-dimethylnaphthalene;2,4,6-trinitrophenol
Names & synonyms
6945-05-72,6-dimethylnaphthalene; 2,4,6-trinitrophenolNSC59395DTXSID30289144NSC-593952,4,6-Trinitrophenol--2,6-dimethylnaphthalene (1/1)
Database identifiers
- CAS
6945-05-7- PubChem CID
- 246397
- DTXSID
DTXSID30289144
Properties
Computed structural properties
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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