Basic information
- CAS
1659-88-7- Standard SMILES
O=C(O)C12C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C42Cl- InChIKey
KIPHSYRNRBDUBB-UHFFFAOYSA-N- Molecular formula
- C10HCl9O2
- Average molar mass
- 472.2 g/mol
- Monoisotopic mass
- 467.717329
Names & identifiers
- Preferred name
- 1,2,3,5,6,7,8,9,9-Nonachloropentacyclo[4.3.0.02,5.03,8.04,7]nonane-4-carboxylic acid
- IUPAC
- 1,2,3,5,6,7,8,9,9-nonachloropentacyclo[4.3.0.02,5.03,8.04,7]nonane-4-carboxylic acid
Names & synonyms
NSC1029131659-88-7DTXSID40329227NSC-1029131,2,3,5,6,7,8,9,9-Nonachloropentacyclo[4.3.0.0~2,5~.0~3,8~.0~4,7~]nonane-4-carboxylic acid
Database identifiers
- CAS
1659-88-7- PubChem CID
- 418595
- DTXSID
DTXSID40329227
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 689
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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