(1,1'-Biphenyl)-3-carboxylic acid, 2',4'-difluoro-4(or 5)-hydroxy-5-(or 4)-(sulfooxy)-
Basic information
- CAS
158681-34-6- Standard SMILES
O=C(O)c1cc(-c2ccc(F)cc2F)cc(OS(=O)(=O)O)c1O- InChIKey
KCSVPTUMFFJZAO-UHFFFAOYSA-N- Molecular formula
- C13H8F2O7S
- Average molar mass
- 346.26 g/mol
- Monoisotopic mass
- 345.99588009
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-3-carboxylic acid, 2',4'-difluoro-4(or 5)-hydroxy-5-(or 4)-(sulfooxy)-
- IUPAC
- 5-(2,4-difluorophenyl)-2-hydroxy-3-sulfooxybenzoic acid
Names & synonyms
158681-34-6(1,1'-Biphenyl)-3-carboxylic acid, 2',4'-difluoro-4(or 5)-hydroxy-5-(or 4)-(sulfooxy)-DTXSID009359642',4'-Difluoro-4-hydroxy-5-(sulfooxy)[1,1'-biphenyl]-3-carboxylic acid
Database identifiers
- CAS
158681-34-6- PubChem CID
- 44150641
- DTXSID
DTXSID00935964
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 535
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…