Dimethyl (1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl)phosphonate
Basic information
- CAS
27764-10-9- Standard SMILES
COP(=O)(OC)C1CC2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl- InChIKey
CLISZBLSORJXNK-UHFFFAOYSA-N- Molecular formula
- C9H9Cl6O3P
- Average molar mass
- 408.8 g/mol
- Monoisotopic mass
- 405.842047
Names & identifiers
- Preferred name
- Dimethyl (1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl)phosphonate
- IUPAC
- 1,2,3,4,7,7-hexachloro-5-dimethoxyphosphorylbicyclo[2.2.1]hept-2-ene
Names & synonyms
27764-10-9NSC138992DTXSID30300787dimethyl (1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl)phosphonateNSC-138992
Database identifiers
- CAS
27764-10-9- PubChem CID
- 283791
- DTXSID
DTXSID30300787
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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