The 2-Chloro-3-iodophenol has CAS registry number 666727-31-7. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C6H4ClIO and molecular weight is 254.45.
Physical properties about the 2-Chloro-3-iodophenol are: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.74; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 410.97; (6)ACD/BCF (pH 7.4): 263.52; (7)ACD/KOC (pH 5.5): 2580.4; (8)ACD/KOC (pH 7.4): 1654.6; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 45.93 cm3; (15)Molar Volume: 121.8 cm3; (16)Surface Tension: 56.2 dyne/cm; (17)Density: 2.087 g/cm3; (18)Flash Point: 126.4 °C; (19)Enthalpy of Vaporization: 54.54 kJ/mol; (20)Boiling Point: 285.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00164 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cccc(O)c1Cl
(2) InChI: InChI=1/C6H4ClIO/c7-6-4(8)2-1-3-5(6)9/h1-3,9H
(3) InChIKey: OXCDLZCOMWIYQR-UHFFFAOYAY
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