Basic information
- Standard SMILES
CCOC=C(C)C(=O)C(Cl)(Cl)Cl- InChIKey
BGHXUMZQYBZECU-UHFFFAOYSA-N- Molecular formula
- C7H9Cl3O2
- Average molar mass
- 231.5 g/mol
Names & identifiers
- Preferred name
- CID 78201051
- IUPAC
- 1,1,1-trichloro-4-ethoxy-3-methylbut-3-en-2-one
Names & synonyms
83124-84-9(E)-1,1,1-Trichloro-4-ethoxy-3-methyl-but-3-en-2-oneSCHEMBL457868IDA12484
Database identifiers
- PubChem CID
- 78201051
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Related reactions
1 records
Compound notes
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