Basic information
- CAS
100945-19-5- Standard SMILES
CC(=O)Oc1ccc(C(=O)CCl)cc1OC(C)=O- InChIKey
VRXRLAGTWYYEOT-UHFFFAOYSA-N- Molecular formula
- C12H11ClO5
- Average molar mass
- 270.66 g/mol
- Monoisotopic mass
- 270.02950113
Names & identifiers
- Preferred name
- 2-Chloro-1-[3,4-bis(acetyloxy)phenyl]ethanone
- IUPAC
- [2-acetyloxy-4-(2-chloroacetyl)phenyl] acetate
Names & synonyms
100945-19-52-Chloro-1-[3,4-bis(acetyloxy)phenyl]ethanoneEthanone, 1-[3,4-bis(acetyloxy)phenyl]-2-chloro-SCHEMBL9198139DTXSID205488134-(Chloroacetyl)-1,2-phenylene diacetate4-(2-Chloroacetyl)-1,2-phenylene diacetate
Database identifiers
- CAS
100945-19-5- PubChem CID
- 13764683
- DTXSID
DTXSID20548813- Nikkaji
- J71.691J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 341
Related reactions
1 records
Compound notes
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