1,4,5,6-Tetrachloro-7,7-dimethoxybicyclo[2.2.1]hept-5-en-2-yl acetate
Basic information
- CAS
40001-91-0- Standard SMILES
COC1(OC)C2(Cl)CC(OC(C)=O)C1(Cl)C(Cl)=C2Cl- InChIKey
FFSXDNVDSRAIPV-UHFFFAOYSA-N- Molecular formula
- C11H12Cl4O4
- Average molar mass
- 350 g/mol
- Monoisotopic mass
- 347.94897
Names & identifiers
- Preferred name
- 1,4,5,6-Tetrachloro-7,7-dimethoxybicyclo[2.2.1]hept-5-en-2-yl acetate
- IUPAC
- (1,4,5,6-tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl) acetate
- English name
- Bicyclo[2.2.1]hept-5-en-2-ol,1,4,5,6-tetrachloro-7,7-dimethoxy-, 2-acetate
- Molecular formula
- C11H12Cl4O4
- Molecular weight
- 350.02258
Names & synonyms
1,4,5,6-Tetrachloro-7,7-dimethoxybicyclo[2.2.1]hept-5-en-2-yl acetate40001-91-0NSC693402(1,2,3,4-tetrachloro-7,7-dimethoxy-5-bicyclo[2.2.1]hept-2-enyl) acetateSCHEMBL12425110DTXSID60327841NSC120541NSC-120541NSC-693402AE-646/11814068Bicyclo[2.2.1]hept-5-en-2-ol,1,4,5,6-tetrachloro-7,7-dimethoxy-, 2-acetate
Database identifiers
- CAS
40001-91-0- PubChem CID
- 392684
- DTXSID
DTXSID60327841
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 462
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Related reactions
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Compound notes
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