Ethyl 2-acetyl-4,4,4-trichlorobut-2-enoate
Basic information
- CAS
63093-78-7- Standard SMILES
CCOC(=O)C(=CC(Cl)(Cl)Cl)C(C)=O- InChIKey
ORKYVIFQXHPPHN-UHFFFAOYSA-N- Molecular formula
- C8H9Cl3O3
- Average molar mass
- 259.5 g/mol
- Monoisotopic mass
- 257.961727
Names & identifiers
- Preferred name
- Ethyl 2-acetyl-4,4,4-trichlorobut-2-enoate
- IUPAC
- ethyl 2-acetyl-4,4,4-trichlorobut-2-enoate
Names & synonyms
63093-78-7ethyl 2-acetyl-4,4,4-trichlorobut-2-enoateDTXSID50291269
Database identifiers
- CAS
63093-78-7- PubChem CID
- 252558
- DTXSID
DTXSID50291269
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 265
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Compound notes
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