Basic information
- CAS
94339-60-3- Standard SMILES
Clc1cc(Oc2ccc(Cl)c(Cl)c2Cl)cc(Cl)c1Cl- InChIKey
FEIDIWDEJQVIPO-UHFFFAOYSA-N- Molecular formula
- C12H4Cl6O
- Average molar mass
- 376.9 g/mol
- Monoisotopic mass
- 373.839331
Names & identifiers
- Preferred name
- 2,3,3',4,4',5'-Hexachlorodiphenyl ether
- IUPAC
- 1,2,3-trichloro-4-(3,4,5-trichlorophenoxy)benzene
Names & synonyms
2,3,3',4,4',5'-Hexachlorodiphenyl etherPCDE 15794339-60-36QB3H2MED61,2,3-trichloro-4-(3,4,5-trichlorophenoxy)benzeneUNII-6QB3H2MED6DTXSID208770142,3,3',4,4',5'-HexachlorodiphenyletherQ27265334
Database identifiers
- CAS
94339-60-3- PubChem CID
- 93503
- DTXSID
DTXSID20877014- UNII
- 6QB3H2MED6
- Nikkaji
- J772.329F
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 292
Experimental & physicochemical properties
LogP6.99
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…