Basic information
- CAS
105752-68-9- Standard SMILES
Cc1ccc(C)c2c(C[N+](=O)[O-])ccc(C)c12- InChIKey
BGLXAEIAAXPALH-UHFFFAOYSA-N- Molecular formula
- C14H15NO2
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.11027872
Names & identifiers
- Preferred name
- 1,4,5-Trimethyl-8-(nitromethyl)naphthalene
- IUPAC
- 1,4,5-trimethyl-8-(nitromethyl)naphthalene
Names & synonyms
1,4,5-Trimethyl-8-(nitromethyl)naphthalene105752-68-9DTXSID40566216
Database identifiers
- CAS
105752-68-9- PubChem CID
- 14967494
- DTXSID
DTXSID40566216
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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