4,5,6,7,8,8-Hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-one
Basic information
- CAS
13135-99-4- Standard SMILES
O=C1OC(O)(C(Cl)(Cl)Cl)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl- InChIKey
XZZWHMRDJPMXJY-UHFFFAOYSA-N- Molecular formula
- C10H3Cl9O3
- Average molar mass
- 490.2 g/mol
- Monoisotopic mass
- 485.727893
Names & identifiers
- Preferred name
- 4,5,6,7,8,8-Hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-one
- IUPAC
- 1,7,8,9,10,10-hexachloro-5-hydroxy-5-(trichloromethyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
Names & synonyms
13135-99-4NSC990094,5,6,7,8,8-hexachloro-3-hydroxy-3-(trichloromethyl)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3h)-oneDTXSID60927168NSC-99009
Database identifiers
- CAS
13135-99-4- PubChem CID
- 264108
- DTXSID
DTXSID60927168
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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