Phenoxathiin, 2-bromo-4-chloro-8-fluoro-
Basic information
- CAS
56348-77-7- Standard SMILES
Fc1ccc2c(c1)Sc1cc(Br)cc(Cl)c1O2- InChIKey
PVGMXTCIBKXTPF-UHFFFAOYSA-N- Molecular formula
- C12H5BrClFOS
- Average molar mass
- 331.59 g/mol
- Monoisotopic mass
- 329.8917
Names & identifiers
- Preferred name
- Phenoxathiin, 2-bromo-4-chloro-8-fluoro-
- IUPAC
- 2-bromo-4-chloro-8-fluorophenoxathiine
Names & synonyms
56348-77-7Phenoxathiin, 2-bromo-4-chloro-8-fluoro-2-bromo-4-chloro-8-fluorophenoxathiineDTXSID70204891
Database identifiers
- CAS
56348-77-7- PubChem CID
- 187902
- DTXSID
DTXSID70204891
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
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Compound notes
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