Basic information
- CAS
29229-24-1- Standard SMILES
O=C1C2C(C(=O)N1c1ccccc1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl- InChIKey
FVJNTGADSRRIBS-UHFFFAOYSA-N- Molecular formula
- C15H7Cl6NO2
- Average molar mass
- 445.9 g/mol
- Monoisotopic mass
- 442.860795
Names & identifiers
- Preferred name
- 4,5,6,7,8,8-Hexachloro-2-phenyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione
- IUPAC
- 1,7,8,9,10,10-hexachloro-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Names & synonyms
NSC225914,5,6,7,8,8-hexachloro-2-phenyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dioneDTXSID30951839NSC-22591
Database identifiers
- CAS
29229-24-1- PubChem CID
- 229162
- DTXSID
DTXSID30951839- Nikkaji
- J269.624J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 641
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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