Heptyl 3,5-dinitrobenzoate
Basic information
- CAS
10478-05-4- Standard SMILES
CCCCCCCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
SALJFNLCUUKOMX-UHFFFAOYSA-N- Molecular formula
- C14H18N2O6
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.1164863
Names & identifiers
- Preferred name
- Heptyl 3,5-dinitrobenzoate
- IUPAC
- heptyl 3,5-dinitrobenzoate
Names & synonyms
heptyl 3,5-dinitrobenzoate10478-05-4DTXSID40335929RefChem:347303DTXCID20287018SALJFNLCUUKOMX-UHFFFAOYSA-NSCHEMBL9679699Benzoic acid, 3,5-dinitro, heptyl ester
Database identifiers
- CAS
10478-05-4- PubChem CID
- 528032
- DTXSID
DTXSID40335929
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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