2,4,6-Trinitrophenol--1-methylnaphthalene (1/1)
Basic information
- CAS
5160-54-3- Standard SMILES
Cc1cccc2ccccc12.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
MFPFNKSOGKYENI-UHFFFAOYSA-N- Molecular formula
- C17H13N3O7
- Average molar mass
- 371.3 g/mol
- Monoisotopic mass
- 371.07534976
Names & identifiers
- Preferred name
- 2,4,6-Trinitrophenol--1-methylnaphthalene (1/1)
- IUPAC
- 1-methylnaphthalene;2,4,6-trinitrophenol
Names & synonyms
NSC4085182,4,6-Trinitrophenol--1-methylnaphthalene (1/1)DTXSID80965926AKOS024428854NSC-408518
Database identifiers
- CAS
5160-54-3- PubChem CID
- 348979
- DTXSID
DTXSID80965926
Properties
Computed structural properties
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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