Basic information
- CAS
5960-49-6- Standard SMILES
O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)C2(Cl)CC=CCC12Cl- InChIKey
BATMELCQLQGSTJ-UHFFFAOYSA-N- Molecular formula
- C14H6Cl6O2
- Average molar mass
- 418.9 g/mol
- Monoisotopic mass
- 415.849896
Names & identifiers
- Preferred name
- 4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione
- IUPAC
- 4a,5,6,7,8,9a-hexachloro-1,4-dihydroanthracene-9,10-dione
Names & synonyms
5960-49-64a,5,6,7,8,9a-hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dioneNSC32692DTXSID90975011NSC-32692
Database identifiers
- CAS
5960-49-6- PubChem CID
- 233733
- DTXSID
DTXSID90975011
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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