1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone
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Basic information
- CAS
59473-95-9- Standard SMILES
COC1(OC)C2(Cl)CC(C(C)=O)C1(Cl)C(Cl)=C2Cl- InChIKey
AIGYZGZAFVGECS-UHFFFAOYSA-N- Molecular formula
- C11H12Cl4O3
- Average molar mass
- 334 g/mol
- Monoisotopic mass
- 331.954055
Names & identifiers
- Preferred name
- 1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone
- IUPAC
- 1-(1,4,5,6-tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone
Names & synonyms
NSC12409359473-95-9DTXSID20298543NSC-1240931-(1,4,5,6-Tetrachloro-7,7-dimethoxybicyclo[2.2.1]hept-5-en-2-yl)ethan-1-one
Database identifiers
- CAS
59473-95-9- PubChem CID
- 276356
- DTXSID
DTXSID20298543
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 446
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Compound notes
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