Basic information
- CAS
76552-45-9- Standard SMILES
COC(=O)CC(=O)c1ccc(S(=O)(=O)F)cc1- InChIKey
LQMKWWRTMAZSLG-UHFFFAOYSA-N- Molecular formula
- C10H9FO5S
- Average molar mass
- 260.24 g/mol
- Monoisotopic mass
- 260.01547272
Names & identifiers
- Preferred name
- Methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate
- IUPAC
- methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoate
Names & synonyms
76552-45-9methyl 3-(4-fluorosulfonylphenyl)-3-oxopropanoateNSC166444SCHEMBL11201805DTXSID50304601NSC-166444METHYL 3-[4-(FLUOROSULFONYL)PHENYL]-3-OXOPROPANOATE
Database identifiers
- CAS
76552-45-9- PubChem CID
- 296353
- DTXSID
DTXSID50304601
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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