Basic information
- CAS
89354-02-9- Standard SMILES
CCN(CC(C)C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
VCHNZZKHUVFNHU-UHFFFAOYSA-N- Molecular formula
- C13H16F3N3O4
- Average molar mass
- 335.28 g/mol
- Monoisotopic mass
- 335.10929049
Names & identifiers
- Preferred name
- N-Ethyl-N-(2-methylpropyl)-2,6-dinitro-4-(trifluoromethyl)aniline
- IUPAC
- N-ethyl-N-(2-methylpropyl)-2,6-dinitro-4-(trifluoromethyl)aniline
Names & synonyms
89354-02-9N-Ethyl-N-(2-methylpropyl)-2,6-dinitro-4-(trifluoromethyl)anilineSCHEMBL11206500DTXSID10608197VCHNZZKHUVFNHU-UHFFFAOYSA-N
Database identifiers
- CAS
89354-02-9- PubChem CID
- 20503003
- DTXSID
DTXSID10608197
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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