Basic information
- CAS
893413-02-0- Standard SMILES
C=CCC(CCC1OCCO1)(c1cc(F)ccc1F)S(=O)(=O)c1ccccc1- InChIKey
SLNGKTYLEHYKOB-UHFFFAOYSA-N- Molecular formula
- C21H22F2O4S
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.12068668
Names & identifiers
- Preferred name
- 2-[3-(Benzenesulfonyl)-3-(2,5-difluorophenyl)hex-5-en-1-yl]-1,3-dioxolane
- IUPAC
- 2-[3-(benzenesulfonyl)-3-(2,5-difluorophenyl)hex-5-enyl]-1,3-dioxolane
Names & synonyms
DTXSID5011493572-[3-(benzenesulfonyl)-3-(2,5-difluorophenyl)hex-5-en-1-yl]-1,3-dioxolane893413-02-02-[3-(2,5-Difluorophenyl)-3-(phenylsulfonyl)-5-hexen-1-yl]-1,3-dioxolane
Database identifiers
- CAS
893413-02-0- PubChem CID
- 11618397
- DTXSID
DTXSID501149357- Nikkaji
- J2.324.787I
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 608
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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