1,7,8,9,10,10-Hexachloro-4-(4-hydroxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Basic information
- CAS
75363-80-3- Standard SMILES
O=C1C2C(C(=O)N1c1ccc(O)cc1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl- InChIKey
DLDZDCYAAKJJNG-UHFFFAOYSA-N- Molecular formula
- C15H7Cl6NO3
- Average molar mass
- 461.9 g/mol
- Monoisotopic mass
- 458.855709
Names & identifiers
- Preferred name
- 1,7,8,9,10,10-Hexachloro-4-(4-hydroxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
- IUPAC
- 1,7,8,9,10,10-hexachloro-4-(4-hydroxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Names & synonyms
75363-80-3NSC22232DTXSID60996814NSC-222324,5,6,7,8,8-Hexachloro-2-(4-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Database identifiers
- CAS
75363-80-3- PubChem CID
- 228959
- DTXSID
DTXSID60996814
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 672
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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