1-Nitrophenazine
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Basic information
- CAS
2876-24-6- Standard SMILES
O=[N+]([O-])c1cccc2nc3ccccc3nc12- InChIKey
BEDXVQSNPCSGHA-UHFFFAOYSA-N- Molecular formula
- C12H7N3O2
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 225.05382648
Names & identifiers
- Preferred name
- 1-Nitrophenazine
- IUPAC
- 1-nitrophenazine
- English name
- 1-NITROPHENAZINE
- Molecular formula
- C12H7N3O2
- Molecular weight
- 225.2
Names & synonyms
1-Nitrophenazine2876-24-6FDA3BAA5PUPhenazine, 1-nitro-CCRIS 3014nitrophenazineUNII-FDA3BAA5PUSCHEMBL8477858BEDXVQSNPCSGHA-UHFFFAOYSA-DTXSID70182943AKOS040764612InChI=1/C12H7N3O2/c16-15(17)11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10/h1-7H
Database identifiers
- CAS
2876-24-6- PubChem CID
- 160658
- DTXSID
DTXSID70182943- UNII
- FDA3BAA5PU
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Melting point
- 192 · 192-195 °C
- Boiling point
- 436 · 436.0±15.0 °C(Predicted)
- Density
- 1.444 · 1.444±0.06 g/cm3(Predicted)
- pka
- -1.85 · -1.85±0.30(Predicted)
- FDA UNII
- 3 BAA5PU · FDA3BAA5PU
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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