Basic information
- CAS
57883-27-9- Standard SMILES
CN1CCCc2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]- InChIKey
FSZJDVCPZGUGRQ-UHFFFAOYSA-N- Molecular formula
- C10H11N3O4
- Average molar mass
- 237.21 g/mol
- Monoisotopic mass
- 237.07495584
Names & identifiers
- Preferred name
- Quinoline, 1,2,3,4-tetrahydro-1-methyl-5,7-dinitro-
- IUPAC
- 1-methyl-5,7-dinitro-3,4-dihydro-2H-quinoline
Names & synonyms
57883-27-9Quinoline, 1,2,3,4-tetrahydro-1-methyl-5,7-dinitro-DTXSID104846901-Methyl-5,7-dinitro-1,2,3,4-tetrahydroquinoline
Database identifiers
- CAS
57883-27-9- PubChem CID
- 12288366
- DTXSID
DTXSID10484690
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…