Basic information
- CAS
39522-56-0- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)Nc1c(cc(Cl)cc1[N+](=O)[O-])O2- InChIKey
UBVWRIQBQPRHRZ-UHFFFAOYSA-N- Molecular formula
- C12H6ClN3O5
- Average molar mass
- 307.64 g/mol
- Monoisotopic mass
- 306.999598
Names & identifiers
- Preferred name
- 3-Chloro-1,8-dinitro-10H-phenoxazine
- IUPAC
- 3-chloro-1,8-dinitro-10H-phenoxazine
- English name
- 3-Chloro-1,8-dinitro-10H-phenoxazine
- Molecular weight
- 0
Names & synonyms
3-Chloro-1,8-dinitro-10H-phenoxazine3-Chloro-1,8-dinitrophenoxazine10H-Phenoxazine, 3-chloro-1,8-dinitro-39522-56-0DTXSID00418828UBVWRIQBQPRHRZ-UHFFFAOYSA-N3-Chloro-1,8-dinitro-10H-phenoxazine #
Database identifiers
- CAS
39522-56-0- PubChem CID
- 5378682
- DTXSID
DTXSID00418828- Nikkaji
- J141.040G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…