Basic information
- CAS
10574-44-4- Standard SMILES
CCCCCCCCCCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
KFSXELPKFVNIRV-UHFFFAOYSA-N- Molecular formula
- C17H24N2O6
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.16343649
Names & identifiers
- Preferred name
- Decyl 3,5-dinitrobenzoate
- IUPAC
- decyl 3,5-dinitrobenzoate
Names & synonyms
decyl 3,5-dinitrobenzoateBenzoic acid, 3,5-dinitro-, decyl ester10574-44-4SCHEMBL9678328DTXSID60335946KFSXELPKFVNIRV-UHFFFAOYSA-N
Database identifiers
- CAS
10574-44-4- PubChem CID
- 528102
- DTXSID
DTXSID60335946
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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