Basic information
- CAS
116397-85-4- Standard SMILES
O=[N+]([O-])c1cc2ccccc2c([N+](=O)[O-])c1O- InChIKey
GUHSFUVMQXIKSL-UHFFFAOYSA-N- Molecular formula
- C10H6N2O5
- Average molar mass
- 234.16 g/mol
- Monoisotopic mass
- 234.0276713
Names & identifiers
- Preferred name
- 1,3-Dinitronaphthalen-2-ol
- IUPAC
- 1,3-dinitronaphthalen-2-ol
Names & synonyms
1,3-dinitronaphthalen-2-ol116397-85-4Dinitro-2-naphtholDTXSID00151384
Database identifiers
- CAS
116397-85-4- PubChem CID
- 189397
- DTXSID
DTXSID00151384
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- 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…