The Isoxazole,5-chloro-3-phenyl- is an organic compound with the formula C9H6ClNO. The IUPAC name of this chemical is 5-chloro-3-phenyl-1,2-oxazole. With the CAS registry number 3356-89-6, it is also named as 3-Phenyl-5-chloroisoxazole.
Physical properties about Isoxazole,5-chloro-3-phenyl- are: (1)ACD/LogP: 2.25; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 26.03 Å2; (5)Index of Refraction: 1.559; (6)Molar Refractivity: 46.13 cm3; (7)Molar Volume: 142.6 cm3; (8)Polarizability: 18.28×10-24cm3; (9)Surface Tension: 42.6 dyne/cm; (10)Density: 1.258 g/cm3; (11)Flash Point: 144 °C; (12)Enthalpy of Vaporization: 53.35 kJ/mol; (13)Boiling Point: 314.5 °C at 760 mmHg; (14)Vapour Pressure: 0.000857 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2onc(c1ccccc1)c2
(2)InChI: InChI=1/C9H6ClNO/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H
(3)InChIKey: KWVZAEKGUQQYMK-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H6ClNO/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H
(5)Std. InChIKey: KWVZAEKGUQQYMK-UHFFFAOYSA-N
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