Completing data — usually done within a minute
Basic information
- CAS
1259022-71-3- Standard SMILES
COC(=O)Cc1ccc(OS(=O)(=O)C(F)(F)F)c(F)c1- InChIKey
GYMTWFOUJTXQLN-UHFFFAOYSA-N- Molecular formula
- C10H8F4O5S
- Average molar mass
- 316.23 g/mol
- Monoisotopic mass
- 316.00285724
Names & identifiers
- Preferred name
- Methyl 2-(3-fluoro-4-(trifluoromethylsulfonyloxy)phenyl)acetate
- IUPAC
- methyl 2-[3-fluoro-4-(trifluoromethylsulfonyloxy)phenyl]acetate
Names & synonyms
methyl 2-(3-fluoro-4-(trifluoromethylsulfonyloxy)phenyl)acetate1259022-71-3methyl 2-[3-fluoro-4-(trifluoromethylsulfonyloxy)phenyl]acetateSCHEMBL2126108SCHEMBL30154424DTXSID001137979DB-297787Methyl {3-fluoro-4-[(trifluoromethanesulfonyl)oxy]phenyl}acetatemethyl 2-(3-fluoro-4-(((trifluoromethyl)sulfonyl)oxy)phenyl)acetateBenzeneacetic acid, 3-fluoro-4-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester
Database identifiers
- CAS
1259022-71-3- PubChem CID
- 59627703
- DTXSID
DTXSID001137979
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 442
Related reactions
5 records
Compound notes
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