Basic information
- CAS
35245-80-8- Standard SMILES
Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
AZNDXYXXGIGVCZ-UHFFFAOYSA-N- Molecular formula
- C12HCl9O2
- Average molar mass
- 496.2 g/mol
- Monoisotopic mass
- 491.717329
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 2-Hydroxynonachlorodiphenyl ether
- IUPAC
- 2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentachlorophenoxy)phenol
- English name
- nonachloropredioxin
- Molecular formula
- C12HCl9O2
- Molecular weight
- 496.215
Names & synonyms
Nonachloropredioxin2,3,4,5-Tetrachloro-6-(pentachlorophenoxy)phenolnonachloro-2-phenoxyphenol35245-80-8DTXSID80188739Phenol, 2,3,4,5-tetrachloro-6-(pentachlorophenoxy)-RefChem:9099422-Hydroxynonachlorodiphenyl etherDTXCID901112302-Hydroxy-nonachlorodiphenyl etherBRN 2313265Phenol, 2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentachlorophenoxy)-
Database identifiers
- CAS
35245-80-8- PubChem CID
- 37091
- DTXSID
DTXSID80188739- Nikkaji
- J1.265.871K
Properties
Computed structural properties
- XLogP
- 8.7
- 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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