5-Chloro-2-fluorobenzamidine (674793-32-9)

The 5-Chloro-2-fluorobenzamidine, with the CAS registry number 674793-32-9, is also called benzenecarboximidamide, 5-chloro-2-fluoro-, or 2-Fluoro-5-chlorobenzamidine. And the molecular formula of the chemical is C₇H₆ClFN₂.

The characteristics of 5-Chloro-2-fluorobenzamidine as followings: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 3; (7)#H bond acceptors: 2; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 49.87 Å²; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 40.553 cm³; (13)Molar Volume: 122.379 cm³; (14)Polarizability: 16.076×10^-24cm³; (15)Surface Tension: 42.879 dyne/cm; (16)Density: 1.41 g/cm³; (17)Flash Point: 108.14 °C; (18)Enthalpy of Vaporization: 49.266 kJ/mol; (19)Boiling Point: 255.197 °C at 760 mmHg; (20)Vapour Pressure: 0.017 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc(Cl)cc1C(N)=N
(2)InChI: InChI=1/C7H6ClFN2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H3,10,11)
(3)InChIKey: SROQEVHFERCATR-UHFFFAOYAY