Basic information
- CAS
39188-63-1- Standard SMILES
CCOC(=O)Oc1ccc(CC(=O)Cl)cc1- InChIKey
DTNMOTLMPKMKPP-UHFFFAOYSA-N- Molecular formula
- C11H11ClO4
- Average molar mass
- 242.65 g/mol
- Monoisotopic mass
- 242.03458651
Names & identifiers
- Preferred name
- 4-(2-Chloro-2-oxoethyl)phenyl ethyl carbonate
- IUPAC
- [4-(2-chloro-2-oxoethyl)phenyl] ethyl carbonate
Names & synonyms
4-(2-chloro-2-oxoethyl)phenyl ethyl carbonate39188-63-1SCHEMBL11487176DTNMOTLMPKMKPP-UHFFFAOYSA-NDTXSID501254207[4-(2-chloro-2-oxoethyl)phenyl] ethyl carbonate[4-(2-chloro-2-oxoethyl)-phenyl] ethyl carbonate
Database identifiers
- CAS
39188-63-1- PubChem CID
- 20334074
- DTXSID
DTXSID501254207
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Related reactions
5 records
Compound notes
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