Basic information
- CAS
61152-65-6- Standard SMILES
O=C1C2CC=CCC2C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
GFHAYKUSGKWWIA-UHFFFAOYSA-N- Molecular formula
- C14H12N4O6
- Average molar mass
- 332.27 g/mol
- Monoisotopic mass
- 332.07568412
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-((2,4-dinitrophenyl)amino)-
- IUPAC
- 2-(2,4-dinitroanilino)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Names & synonyms
61152-65-61H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-((2,4-dinitrophenyl)amino)-RefChem:10582382-((2,4-Dinitrophenyl)amino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dioneDTXSID009766702-(2,4-Dinitroanilino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
61152-65-6- PubChem CID
- 3045800
- DTXSID
DTXSID00976670
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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