Basic information
- CAS
3807-76-9- Standard SMILES
O=[N+]([O-])c1ccc2c([N+](=O)[O-])ccc3c2c1CC3- InChIKey
WFTCCZBXYNRNNA-UHFFFAOYSA-N- Molecular formula
- C12H8N2O4
- Average molar mass
- 244.2 g/mol
- Monoisotopic mass
- 244.04840674
Names & identifiers
- Preferred name
- Acenaphthene, 3,6-dinitro-
- IUPAC
- 3,6-dinitro-1,2-dihydroacenaphthylene
Names & synonyms
Acenaphthene, 3,6-dinitro-3,6-dinitro-1,2-dihydroacenaphthylene3807-76-93,6-dinitroacenaphtheneAcenaphthylene, 1,2-dihydro-3,6-dinitro-NSC144483J9SUH75RYWMLS002920636NSC-144483Acenaphthene, 3,6-dinitro- (8CI)NSC 144483UNII-J9SUH75RYW
Show more names
CHEMBL1885389DTXSID40191481Acenaphthylene,2-dihydro-3,6-dinitro-SMR001798223Acenaphthylene, 1,2-dihydro-3, 6-dinitro-1,2-DIHYDRO-3,6-DINITROACENAPHTHYLENE
Database identifiers
- CAS
3807-76-9- PubChem CID
- 97688
- DTXSID
DTXSID40191481- ChEMBL
CHEMBL1885389- UNII
- J9SUH75RYW
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…