3-Chloro-4-(2,3,5,6-tetrachlorophenyl)phenol
Basic information
- CAS
150304-11-3- Standard SMILES
Oc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1- InChIKey
OAQUWXNGKQXRIX-UHFFFAOYSA-N- Molecular formula
- C12H5Cl5O
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 339.878303
Names & identifiers
- Preferred name
- 3-Chloro-4-(2,3,5,6-tetrachlorophenyl)phenol
- IUPAC
- 3-chloro-4-(2,3,5,6-tetrachlorophenyl)phenol
- English name
- 3-chloro-4-(2,3,5,6-tetrachlorophenyl)phenol
- Molecular formula
- C12H5Cl5O
- Molecular weight
- 342.43
Names & synonyms
150304-11-33-chloro-4-(2,3,5,6-tetrachlorophenyl)phenol2,2',3',5',6'-Pentachloro-4-biphenylol4-Hydroxy-2,2',3',5',6'-pentachlorobiphenylC14375[1,1'-Biphenyl]-4-ol,2,2',3',5',6'-pentachloro-CHEMBL4059542DTXSID00349320NS001239572,2',3',5',6'-Pentachloro[1,1'-biphenyl]-4-ol[1,1'-biphenyl]-4-ol, 2,2',3',5',6'-pentachloro-[1,1'-Biphenyl]-4-ol, 2,2',3',5',6'-pentachloro- (9CI)
Database identifiers
- CAS
150304-11-3- PubChem CID
- 644182
- DTXSID
DTXSID00349320- ChEMBL
CHEMBL4059542- Nikkaji
- J855.488I
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 393.8 · 393.8±37.0 °C(Predicted)
- Density
- 1.608 · 1.608±0.06 g/cm3(Predicted)
- pka
- 7 · 7+-.0.35(Predicted)
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