Basic information
- CAS
18636-88-9- Standard SMILES
O=[n+]1c2ccccc2n([O-])c2ccc3ccccc3c21- InChIKey
GZLLXAACHUGEBR-UHFFFAOYSA-N- Molecular formula
- C16H10N2O2
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.07422757
Names & identifiers
- Preferred name
- Benzo(a)phenazine, 7,12-dioxide
- IUPAC
- 7-oxidobenzo[a]phenazin-12-ium 12-oxide
- English name
- Benzo(a)phenazine-di-N-oxide
- Molecular formula
- C16H10N2O2
- Molecular weight
- 262.26
Names & synonyms
Benzo(a)phenazine, 7,12-dioxide18636-88-9DTXSID00171885Benzo[a]phenazine, 7,12-dioxideRefChem:118161DTXCID4094376benzo[a]phenazine 7,12-dioxidebenzo[a]phenazine-7,12-diolBenzo(a)phenazine di-N-oxide7-oxidobenzo[a]phenazin-12-ium 12-oxideCHEMBL1164350benzo[a]phenazine-7,12-dioxide
Show more names
Benzo(a)phenazine-di-N-oxide
AKOS003389666ST0720137,12-dioxido-benzo[a]phenazine-7,12-diium12-oxobenzo[a]phenazin-12-ium-7(12H)-olate
Database identifiers
- CAS
18636-88-9- PubChem CID
- 87734
- DTXSID
DTXSID00171885- ChEMBL
CHEMBL1164350- Nikkaji
- J104.985B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 4617 mg/kg ATDAEI 15(Suppl 1),S85,1996
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orl-rat: 4617 mg/kg ATDAEI 15(Suppl 1),S85,1996
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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