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67651-35-8

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Basic Information
CAS No.: 67651-35-8
Name: 4-HYDROXY-2',3,3',4',5'-PENTACHLOROBIPHENYL
Molecular Structure:
Molecular Structure of 67651-35-8 (4-HYDROXY-2',3,3',4',5'-PENTACHLOROBIPHENYL)
Formula: C12H5Cl5O
Molecular Weight: 342.4325
Synonyms: 2',3,3',4',5'-Pentachlorobiphenyl-2-ol;
Density: 1.608 g/cm3
Boiling Point: 402.8 °C at 760 mmHg
Flash Point: 197.4 °C
PSA: 20.23000
LogP: 6.32620
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Specification

The 2-Chloro-6-(2, 3, 4, 5-tetrachlorophenyl)phenol, with the CAS registry number 67651-35-8, is also known as 2', 3, 3', 4', 5'-Pentachlorobiphenyl-2-ol. This chemical's molecular formula is C12H5Cl5O and molecular weight is 342.4325. What's more, its IUPAC name is 2-Chloro-6-(2, 3, 4, 5-tetrachlorophenyl)phenol.

Physical properties about 2-Chloro-6-(2, 3, 4, 5-tetrachlorophenyl)phenol are: (1)ACD/LogP: 5.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.2; (4)ACD/LogD (pH 7.4): 4.52; (5)ACD/BCF (pH 5.5): 5229.5; (6)ACD/BCF (pH 7.4): 1099.33; (7)ACD/KOC (pH 5.5): 15746.71; (8)ACD/KOC (pH 7.4): 3310.24; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 77.2 cm3; (15)Molar Volume: 212.9 cm3; (16)Polarizability: 30.6×10-24 cm3; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.608 g/cm3; (19)Flash Point: 197.4 °C; (20)Enthalpy of Vaporization: 67.95 kJ/mol; (21)Boiling Point: 402.8 °C at 760 mmHg; (22)Vapour Pressure: 4.59E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(cc(Cl)c(Cl)c1Cl)c2cccc(Cl)c2O
(2) InChI: InChI=1/C12H5Cl5O/c13-7-3-1-2-5(12(7)18)6-4-8(14)10(16)11(17)9(6)15/h1-4,18H
(3) InChIKey: PDILDWLZTYCLCY-UHFFFAOYAN