2-Chloro-6-(chloroacetyl)-3,5-dimethoxyphenyl acetate
Basic information
- CAS
72565-71-0- Standard SMILES
COc1cc(OC)c(C(=O)CCl)c(OC(C)=O)c1Cl- InChIKey
WHHQPPWENMBXBZ-UHFFFAOYSA-N- Molecular formula
- C12H12Cl2O5
- Average molar mass
- 307.12 g/mol
- Monoisotopic mass
- 306.0061789
Names & identifiers
- Preferred name
- 2-Chloro-6-(chloroacetyl)-3,5-dimethoxyphenyl acetate
- IUPAC
- [2-chloro-6-(2-chloroacetyl)-3,5-dimethoxyphenyl] acetate
Names & synonyms
72565-71-02-chloro-6-(chloroacetyl)-3,5-dimethoxyphenyl acetateNSC151723DTXSID80302514NSC-151723
Database identifiers
- CAS
72565-71-0- PubChem CID
- 289549
- DTXSID
DTXSID80302514
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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