Basic information
- CAS
80965-31-7- Standard SMILES
O=S(=O)(O)c1ccc(F)c(Oc2ccccc2)c1O- InChIKey
BEHLSSDFDNICMQ-UHFFFAOYSA-N- Molecular formula
- C12H9FO5S
- Average molar mass
- 284.26 g/mol
- Monoisotopic mass
- 284.01547272
Names & identifiers
- Preferred name
- 4-Fluoro-alpha-hydroxy-3-phenoxybenzenesulphonic acid
- IUPAC
- 4-fluoro-2-hydroxy-3-phenoxybenzenesulfonic acid
Names & synonyms
80965-31-7EINECS 279-639-44-Fluoro-alpha-hydroxy-3-phenoxybenzenesulphonic acidDTXSID9010016644-Fluoro-2-hydroxy-3-phenoxybenzene-1-sulfonic acid
Database identifiers
- CAS
80965-31-7- PubChem CID
- 44147635
- DTXSID
DTXSID901001664- EC Number
- 279-639-4
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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