Basic information
- CAS
5432-00-8- Standard SMILES
O=C(O)C1CC2CC1C1C2C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl- InChIKey
NYMAXICBMAYDRR-UHFFFAOYSA-N- Molecular formula
- C13H10Cl6O2
- Average molar mass
- 410.9 g/mol
- Monoisotopic mass
- 407.881196
Names & identifiers
- Preferred name
- 5,6,7,8,9,9-Hexachloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carboxylic acid
- IUPAC
- 1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
- English name
- 5,6,7,8,9,9-Hexachloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carboxylic acid
- Molecular formula
- C13H10Cl6O2
- Molecular weight
- 410.94
Names & synonyms
5432-00-8NSC136745,6,7,8,9,9-hexachloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carboxylic acidDTXSID60969381GAA29123NSC59101NSC61923NSC-13674NSC-59101NSC-61923AKOS0244340195,6,7,8,9,9-HEXACHLORO-OCTAHYDRO-1,4:5,8-DIMETHANONAPHTHALENE-2-CARBOXYLIC ACID
Show more names
1,4:5,8-Dimethanonaphthalene-2-carboxylic acid, 5,6,7,8,9,9-hexachloro-1,2,3,4,4a,5,8,8a-octahydro-
Database identifiers
- CAS
5432-00-8- PubChem CID
- 224846
- DTXSID
DTXSID60969381
Properties
Computed structural properties
- XLogP
- 4
- 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
- 603
Physicochemical properties
- Boiling point
- 486.3 · 486.3±45.0 °C(Predicted)
- Density
- 1.79 · 1.79±0.1 g/cm3(Predicted)
- pka
- 3.83 · 3.83±0.70(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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