The 2,3-Difluoro-6-methoxybenzonitrile, with the CAS registry number 221202-34-2, is also called Benzonitrile, 2,3-difluoro-6-methoxy-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H5F2NO.
The characteristics of 2,3-Difluoro-6-methoxybenzonitrile are as followings: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 33.02 Å2; (7)Index of Refraction: 1.485; (8)Molar Refractivity: 37.91 cm3; (9)Molar Volume: 132.1 cm3; (10)Polarizability: 15.02×10-24cm3; (11)Surface Tension: 37.1 dyne/cm; (12)Density: 1.27 g/cm3; (13)Flash Point: 101.3 °C; (14)Enthalpy of Vaporization: 48.09 kJ/mol; (15)Boiling Point: 243.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0314 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc(OC)c(C#N)c1F
(2)InChI: InChI=1/C8H5F2NO/c1-12-7-3-2-6(9)8(10)5(7)4-11/h2-3H,1H3
(3)InChIKey: AOINHYTZCDVZGW-UHFFFAOYAK
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