1,3-Dioxane, 2-(4-chlorophenyl)-
Basic information
- CAS
6413-52-1- Standard SMILES
Clc1ccc(C2OCCCO2)cc1- InChIKey
LMVCINGLGLOSPM-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.0447573
Names & identifiers
- Preferred name
- 1,3-Dioxane, 2-(4-chlorophenyl)-
- IUPAC
- 2-(4-chlorophenyl)-1,3-dioxane
- English name
- 1,3-Dioxane,2-(4-chlorophenyl)-(9CI)
- Molecular formula
- C10H11ClO2
- Molecular weight
- 198.65
Names & synonyms
2-p-Chlorophenyl-1,3-dioxane6413-52-12-(4-chlorophenyl)-1,3-dioxane1,3-Dioxane, 2-(4-chlorophenyl)-m-Dioxane, 2-(p-chlorophenyl)-NSC74537SCHEMBL2633867DTXSID30982628NSC-745371,3-Dioxane,2-(4-chlorophenyl)-(9CI)DB-267516
Database identifiers
- CAS
6413-52-1- PubChem CID
- 252517
- DTXSID
DTXSID30982628- Nikkaji
- J495.734B
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- 149
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…