Specification of 3-chloro-

sophia11 Thu Jul 28, 2011 9:46 pm

The CAS registry number of Isoxazole, 3-chloro- is 73028-29-2. The systematic name is 3-chloro-1,2-oxazole. In addition, the molecular formula is C3H2ClNO and the molecular weight is 103.51. What's more, it is also called 3-Chloroisoxazole. It should be stored in a cool and dry place.

Physical properties about Isoxazole,3-chloro- are: (1)ACD/LogP: 0.68; (2)ACD/LogD (pH 5.5): 0.68; (3)ACD/LogD (pH 7.4): 0.68; (4)ACD/BCF (pH 5.5): 1.92; (5)ACD/BCF (pH 7.4): 1.92; (6)ACD/KOC (pH 5.5): 55.49; (7)ACD/KOC (pH 7.4): 55.49; ( Cool

#H bond acceptors: 2; (9)Polar Surface Area: 26.03 ?2; (10)Index of Refraction: 1.468; (11)Molar Refractivity: 21.53 cm3; (12)Molar Volume: 77.4 cm3; (13)Polarizability: 8.53 ×10-24cm3; (14)Surface Tension: 37.2 dyne/cm; (15)Density: 1.337 g/cm3; (16)Flash Point: 45.2 °C; (17)Enthalpy of Vaporization: 37.2 kJ/mol; (18)Boiling Point: 151.1 °C at 760 mmHg; (19)Vapour Pressure: 4.74 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccon1
(2)InChI: InChI=1/C3H2ClNO/c4-3-1-2-6-5-3/h1-2H
(3)InChIKey: AJRGDQWFWJDYDP-UHFFFAOYAF