Basic information
- CAS
65708-37-4- Standard SMILES
O=C(O)c1ccc(C(F)(F)F)cc1OP(=O)(O)O- InChIKey
XOJUWOHYUFBSKE-UHFFFAOYSA-N- Molecular formula
- C8H6F3O6P
- Average molar mass
- 286.1 g/mol
- Monoisotopic mass
- 285.98540939
Overview
Flufosal is a small molecule drug. Flufosal has a monoisotopic molecular weight of 285.99 Da.
Names & identifiers
- Preferred name
- Flufosal
- IUPAC
- 2-phosphonooxy-4-(trifluoromethyl)benzoic acid
- English name
- Flufosal
- Molecular formula
- C8H6F3O6P
- Molecular weight
- 286.1
Names & synonyms
FlufosalFlufosal [INN]65708-37-4GK3KFF4TIWUNII-GK3KFF4TIWDTXSID70215922Alpha,alpha,alpha-Trifluoro-2,4-cresotic acid dihydrogen phosphate.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-2,4-CRESOTIC ACID DIHYDROGEN PHOSPHATEflufosalumRefChem:140832DTXCID001384132-phosphonooxy-4-(trifluoromethyl)benzoic acid
Show more names
Benzoic acid, 2-(phosphonooxy)-4-(trifluoromethyl)-4-Trifluoromethyl-2-phosphonooxybenzenecarboxylic acid
SCHEMBL21091952-(PHOSPHONOOXY)-4-(TRIFLUOROMETHYL)BENZOIC ACIDCHEMBL2107423XOJUWOHYUFBSKE-UHFFFAOYSA-NNS00126676Q27279132
Database identifiers
- CAS
65708-37-4- PubChem CID
- 3085331
- DTXSID
DTXSID70215922- ChEMBL
CHEMBL2107423- UNII
- GK3KFF4TIW
- Nikkaji
- J19.867F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- FDA UNII
- 3 KFF4TIW · GK3KFF4TIW
Chemistry & industry
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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