Basic information
- CAS
433939-84-5- Standard SMILES
CS(=O)(=O)OCc1ccc(C#N)c(F)c1- InChIKey
QWCJUHKGNUWNDH-UHFFFAOYSA-N- Molecular formula
- C9H8FNO3S
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.02089245
Names & identifiers
- Preferred name
- 4-Cyano-3-fluorobenzyl methanesulfonate
- IUPAC
- (4-cyano-3-fluorophenyl)methyl methanesulfonate
Names & synonyms
4-Cyano-3-fluorobenzyl methanesulfonate433939-84-5SCHEMBL3157145QWCJUHKGNUWNDH-UHFFFAOYSA-NDTXSID201220641(4-cyano-3-fluorophenyl)methyl methanesulfonate2-Fluoro-4-[[(methylsulfonyl)oxy]methyl]benzonitrile
Database identifiers
- CAS
433939-84-5- PubChem CID
- 21904620
- DTXSID
DTXSID201220641
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 353
Related reactions
8 records
Compound notes
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