Basic information
- CAS
7498-70-6- Standard SMILES
CC(C)CCCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
LTRILQVJNRNSDS-UHFFFAOYSA-N- Molecular formula
- C13H16N2O6
- Average molar mass
- 296.28 g/mol
- Monoisotopic mass
- 296.10083623
Names & identifiers
- Preferred name
- 4-Methylpentyl 3,5-dinitrobenzoate
- IUPAC
- 4-methylpentyl 3,5-dinitrobenzoate
Names & synonyms
7498-70-64-methylpentyl 3,5-dinitrobenzoateNSC407570DTXSID70324705NSC-407570
Database identifiers
- CAS
7498-70-6- PubChem CID
- 348306
- DTXSID
DTXSID70324705
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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