2-(4-Chlorophenyl)-4-methyl-1,3-dioxane
Basic information
- CAS
5406-43-9- Standard SMILES
CC1CCOC(c2ccc(Cl)cc2)O1- InChIKey
SXBQMLNWYUKMRI-UHFFFAOYSA-N- Molecular formula
- C11H13ClO2
- Average molar mass
- 212.67 g/mol
- Monoisotopic mass
- 212.0604073
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-4-methyl-1,3-dioxane
- IUPAC
- 2-(4-chlorophenyl)-4-methyl-1,3-dioxane
Names & synonyms
5406-43-92-(4-chlorophenyl)-4-methyl-1,3-dioxaneNSC7013DTXSID40278322NSC-7013
Database identifiers
- CAS
5406-43-9- PubChem CID
- 221902
- DTXSID
DTXSID40278322
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 178
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Compound notes
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