(3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate
Basic information
- CAS
7460-92-6- Standard SMILES
CCCCCC(CCCC)(CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)C- InChIKey
UGAYQDSAGROYBE-UHFFFAOYSA-N- Molecular formula
- C22H34N2O6
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.24168681
Names & identifiers
- Preferred name
- (3-Butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate
- IUPAC
- (3-butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate
Names & synonyms
7460-92-6(3-butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoateNSC404247DTXSID00323544NSC-4042473-Butyl-3-(propan-2-yl)octyl 3,5-dinitrobenzoate
Database identifiers
- CAS
7460-92-6- PubChem CID
- 346159
- DTXSID
DTXSID00323544
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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