Basic information
- CAS
675958-13-1- Standard SMILES
CO[C@H](C)[C@H](F)Sc1ccccc1- InChIKey
CJUINXNEVWWBQU-PSASIEDQSA-N- Molecular formula
- C10H13FOS
- Average molar mass
- 200.27 g/mol
Names & identifiers
- Preferred name
- [(1R,2R)-1-fluoro-2-methoxypropyl]sulfanylbenzene
- IUPAC
- [(1R,2R)-1-fluoro-2-methoxypropyl]sulfanylbenzene
- English name
- Benzene, [[(1R,2R)-1-fluoro-2-methoxypropyl]thio]-, rel- (9CI)
- Molecular formula
- C10H13FOS
- Molecular weight
- 200.27
Names & synonyms
Benzene, [[(1R,2R)-1-fluoro-2-methoxypropyl]thio]-, rel-Benzene, [[(1R,2R)-1-fluoro-2-methoxypropyl]thio]-, rel- (9CI)
Database identifiers
- CAS
675958-13-1
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Boiling point
- 249.523 · 249.523±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.096 · 1.096±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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