2-(4-Chlorophenyl)-4-methyl-1,3-dioxolane
Basic information
- CAS
5406-37-1- Standard SMILES
CC1COC(c2ccc(Cl)cc2)O1- InChIKey
RIMYEEXPYOOFOS-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.0447573
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-4-methyl-1,3-dioxolane
- IUPAC
- 2-(4-chlorophenyl)-4-methyl-1,3-dioxolane
- English name
- 2-(4-chlorophenyl)-4-methyl-1,3-dioxolane
- Molecular formula
- C10H11ClO2
- Molecular weight
- 198.65
Names & synonyms
2-(4-chlorophenyl)-4-methyl-1,3-dioxolane5406-37-1NSC6998SCHEMBL9876621DTXSID90278312NSC-69981,3-Dioxolane, 2-(4-chlorophenyl)-4-methyl-
Database identifiers
- CAS
5406-37-1- PubChem CID
- 221891
- DTXSID
DTXSID90278312
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 136 · 136-138 °C(Press: 14 Torr)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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