Propionic acid, 3-(2-chloro-7-hydroxy-10-phenothiazinyl)-
Basic information
- CAS
40845-26-9- Standard SMILES
O=C(O)CCN1c2ccc(O)cc2Sc2ccc(Cl)cc21- InChIKey
WBNPMYJLGASBPI-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO3S
- Average molar mass
- 321.8 g/mol
- Monoisotopic mass
- 321.0226421
Names & identifiers
- Preferred name
- Propionic acid, 3-(2-chloro-7-hydroxy-10-phenothiazinyl)-
- IUPAC
- 3-(2-chloro-7-hydroxyphenothiazin-10-yl)propanoic acid
- English name
- 2-Chloro-7-hydroxy-10H-phenothiazine-10-propanoic acid
- Molecular formula
- C15H12ClNO3S
- Molecular weight
- 321.78
Names & synonyms
40845-26-9Propionic acid, 3-(2-chloro-7-hydroxy-10-phenothiazinyl)-DTXSID80193823RefChem:3752123-(2-Chloro-7-hydroxy-10-phenothiazinyl)-propionic acidDTXCID201163143-(2-chloro-7-hydroxy-10h-phenothiazin-10-yl)propanoic acid3-(2-Chloro-7-hydroxy-10-phenothiazinyl)- propionic acid2-Chloro-7-hydroxy-10H-phenothiazine-10-propanoic acid10H-Phenothiazine-10-propanoic acid, 2-chloro-7-hydroxy-
Database identifiers
- CAS
40845-26-9- PubChem CID
- 218581
- DTXSID
DTXSID80193823- Nikkaji
- J51.076I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Boiling point
- 600.6 · 600.6±55.0 °C(Predicted)
- Density
- 1.491 · 1.491±0.06 g/cm3(Predicted)
- pka
- 4.28 · 4.28±0.10(Predicted)
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Related reactions
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Compound notes
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