Basic information
- CAS
6944-81-6- Standard SMILES
COC1=C(Cl)C(=O)c2cccc([N+](=O)[O-])c2C1=O- InChIKey
SPKBZMJFVNAMAW-UHFFFAOYSA-N- Molecular formula
- C11H6ClNO5
- Average molar mass
- 267.62 g/mol
- Monoisotopic mass
- 266.99345
Names & identifiers
- Preferred name
- 2-Chloro-3-methoxy-5-nitronaphthalene-1,4-dione
- IUPAC
- 2-chloro-3-methoxy-5-nitronaphthalene-1,4-dione
Names & synonyms
6944-81-62-chloro-3-methoxy-5-nitronaphthalene-1,4-dioneNSC59305NCIOpen2_002555DTXSID10289122NSC-59305
Database identifiers
- CAS
6944-81-6- PubChem CID
- 246352
- DTXSID
DTXSID10289122
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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