2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol
Basic information
- CAS
7509-98-0- Standard SMILES
Cc1ccc2ccc(C)cc2c1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O- InChIKey
FSJWEYWFUCZIMB-UHFFFAOYSA-N- Molecular formula
- C18H15N3O8
- Average molar mass
- 401.3 g/mol
- Monoisotopic mass
- 401.08591445
Names & identifiers
- Preferred name
- 2,7-Dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol
- IUPAC
- 2,7-dimethylnaphthalene;2,4,6-trinitrobenzene-1,3-diol
- English name
- 2,7-dimethylnaphthalene, 2,4,6-trinitrobenzene-1,3-diol
- Molecular formula
- C18H15N3O8
- Molecular weight
- 401.327
Names & synonyms
7509-98-0NSC4060042,7-dimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diolDTXSID90324202NSC-4060042,4,6-Trinitrobenzene-1,3-diol--2,7-dimethylnaphthalene (1/1)2,7-dimethylnaphthalene, 2,4,6-trinitrobenzene-1,3-diol
Database identifiers
- CAS
7509-98-0- PubChem CID
- 347364
- DTXSID
DTXSID90324202
Properties
Computed structural properties
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Melting point
- 157 °C · 157 °C
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Related reactions
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Compound notes
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