Basic information
- CAS
93990-76-2- Standard SMILES
CCc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(C)(CC)CCC2(C)CC- InChIKey
HWDSSJJCRXPONG-UHFFFAOYSA-N- Molecular formula
- C18H26N2O4
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.18925731
Names & identifiers
- Preferred name
- 1,4,6-Triethyl-1,4-dimethyl-5,7-dinitro-1,2,3,4-tetrahydronaphthalene
- IUPAC
- 1,4,6-triethyl-1,4-dimethyl-5,7-dinitro-2,3-dihydronaphthalene
Names & synonyms
93990-76-2NSC264431,4,6-triethyl-1,4-dimethyl-5,7-dinitro-1,2,3,4-tetrahydronaphthaleneDTXSID60282547NSC-26443
Database identifiers
- CAS
93990-76-2- PubChem CID
- 230985
- DTXSID
DTXSID60282547
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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