Basic information
- CAS
2642-20-8- Standard SMILES
CCOC(=O)CC(=O)c1cccc(S(=O)(=O)F)c1- InChIKey
SUTRUAVDJLVKCI-UHFFFAOYSA-N- Molecular formula
- C11H11FO5S
- Average molar mass
- 274.27 g/mol
- Monoisotopic mass
- 274.03112278
Names & identifiers
- Preferred name
- Ethyl 3-(3-fluorosulfonylphenyl)-3-oxopropanoate
- IUPAC
- ethyl 3-(3-fluorosulfonylphenyl)-3-oxopropanoate
Names & synonyms
2642-20-8ethyl 3-(3-fluorosulfonylphenyl)-3-oxopropanoateNSC166443SCHEMBL1437628DTXSID90304600NSC-166443ethyl 3-[3-(fluorosulfonyl)phenyl]-3-oxopropanoate
Database identifiers
- CAS
2642-20-8- PubChem CID
- 296352
- DTXSID
DTXSID90304600
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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