1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene
Basic information
- CAS
65075-02-7- Standard SMILES
Clc1ccc(Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl- InChIKey
YHUPMPHVHYBYJE-UHFFFAOYSA-N- Molecular formula
- C12H2Cl8O
- Average molar mass
- 445.8 g/mol
- Monoisotopic mass
- 441.761386
Names & identifiers
- Preferred name
- 1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene
- IUPAC
- 1,2,3,4,5-pentachloro-6-(2,3,4-trichlorophenoxy)benzene
Names & synonyms
1,2,3,4,5-pentachloro-6-(2,3,4-trichlorophenoxy)benzeneISM6U8152C65075-02-72,2',3,3',4,4',5,6-Octachlorodiphenyl etherUNII-ISM6U8152CPCDE 195SCHEMBL6853817DTXSID308770052,2',3,3',4,4',5,6-Octachloro-diPh etherQ27280880
Database identifiers
- CAS
65075-02-7- PubChem CID
- 92371
- DTXSID
DTXSID30877005- UNII
- ISM6U8152C
- Nikkaji
- J772.336I
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 342
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP7.84
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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