Methyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
Basic information
- CAS
14128-65-5- Standard SMILES
COC(=O)C1=CC2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl- InChIKey
FRSUFKJZLFSCBD-UHFFFAOYSA-N- Molecular formula
- C9H4Cl6O2
- Average molar mass
- 356.8 g/mol
- Monoisotopic mass
- 353.834246
Names & identifiers
- Preferred name
- Methyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
- IUPAC
- methyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
Names & synonyms
14128-65-5NSC38230methyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hepta-2,5-diene-2-carboxylateDTXSID70284673NSC-38230
Database identifiers
- CAS
14128-65-5- PubChem CID
- 236156
- DTXSID
DTXSID70284673
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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