3-methoxy-7-nitro-10H-phenothiazine
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Basic information
- CAS
99798-48-8- Standard SMILES
COc1ccc2c(c1)Sc1cc([N+](=O)[O-])ccc1N2- InChIKey
FOAQLYANOPOQFD-UHFFFAOYSA-N- Molecular formula
- C13H10N2O3S
- Average molar mass
- 274.3 g/mol
Names & identifiers
- Preferred name
- 3-methoxy-7-nitro-10H-phenothiazine
- IUPAC
- 3-methoxy-7-nitro-10H-phenothiazine
- English name
- 3-Methoxy-7-nitro-10H-phenothiazine
- Molecular formula
- C13H10N2O3S
- Molecular weight
- 274.3
Names & synonyms
3-methoxy-7-nitro-10H-phenothiazine99798-48-8CHEMBL2063787SIL53-methoxy-7-nitrophenothiazineSCHEMBL17999665BDBM50389294AT1815010H-Phenothiazine, 3-methoxy-7-nitro-
Database identifiers
- CAS
99798-48-8- ChEMBL
CHEMBL2063787
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 481.2 · 481.2±45.0 °C(Predicted)
- Density
- 1.389 · 1.389±0.06 g/cm3(Predicted)
- pka
- -3.45 · -3.45±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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