Basic information
- CAS
42255-14-1- Standard SMILES
Oc1c(Cl)c(Cl)c(Cl)c(Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl- InChIKey
GFTSIDLUOSZZIW-UHFFFAOYSA-N- Molecular formula
- C12HCl9O2
- Average molar mass
- 496.2 g/mol
- Monoisotopic mass
- 491.717329
Overview
principal contaminant in pentachlorophenol
Names & identifiers
- Preferred name
- 3-Hydroxynonachlorodiphenyl ether
- IUPAC
- 2,3,4,6-tetrachloro-5-(2,3,4,5,6-pentachlorophenoxy)phenol
- English name
- 3-hydroxynonachlorodiphenyl ether
- Molecular weight
- 0
Names & synonyms
3-Hydroxynonachlorodiphenyl ether42255-14-1DTXSID20195088RefChem:94357DTXCID301175792,3,4,6-Tetrachloro-5-(pentachlorophenoxy)phenolIsopredioxin3-Hydroxy-nonachlorodiphenyl ether2,3,4,6-tetrachloro-5-(2,3,4,5,6-pentachlorophenoxy)phenolBRN 23132362,3,4,5,6,2',3',4',6'-Nonachlorodiphenyl etherPhenol, 2,3,4,6-tetrachloro-5-(pentachlorophenoxy)-
Database identifiers
- CAS
42255-14-1- PubChem CID
- 39167
- DTXSID
DTXSID20195088- Nikkaji
- J1.618.202H
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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