6-Fluoro-3-phenyl-1H-4,1,2-benzothiadiazine
Basic information
- CAS
62672-38-2- Standard SMILES
Fc1ccc2c(c1)SC(c1ccccc1)=NN2- InChIKey
HOASVIQIOQMPHE-UHFFFAOYSA-N- Molecular formula
- C13H9FN2S
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.04704763
Names & identifiers
- Preferred name
- 6-Fluoro-3-phenyl-1H-4,1,2-benzothiadiazine
- IUPAC
- 6-fluoro-3-phenyl-1H-4,1,2-benzothiadiazine
Names & synonyms
6-Fluoro-3-phenyl-1H-4,1,2-benzothiadiazine62672-38-2DTXSID30489248
Database identifiers
- CAS
62672-38-2- PubChem CID
- 12324809
- DTXSID
DTXSID30489248
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
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Compound notes
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