Phenol, 3-(pentachlorophenoxy)-
Basic information
- CAS
78576-71-3- Standard SMILES
Oc1cccc(Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1- InChIKey
ZCYNIZCWJJBUDF-UHFFFAOYSA-N- Molecular formula
- C12H5Cl5O2
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 355.873218
Names & identifiers
- Preferred name
- Phenol, 3-(pentachlorophenoxy)-
- IUPAC
- 3-(2,3,4,5,6-pentachlorophenoxy)phenol
Names & synonyms
Phenol, 3-(pentachlorophenoxy)-3-(Pentachlorophenoxy)phenolNIOSH/SM6440000Phenol, m-(pentachlorophenoxy)-78576-71-3SM64400000DTXSID00229173
Database identifiers
- CAS
78576-71-3- PubChem CID
- 157229
- DTXSID
DTXSID00229173
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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