Benzaldehyde,4-amino-2,6-difluoro- (777089-82-4)

The 4-Amino-2,6-difluorobenzaldehyde, with the CAS registry number 777089-82-4, is also called Benzaldehyde, 4-amino-2,6-difluoro-. The molecular formula of the chemical is C₇H₅F₂NO. And it belongs to the product categories of Halide and Aldehyde.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.468; (4)ACD/LogD (pH 7.4): 0.468; (5)ACD/BCF (pH 5.5): 1.336; (6)ACD/BCF (pH 7.4): 1.336; (7)ACD/KOC (pH 5.5): 42.818; (8)ACD/KOC (pH 7.4): 42.818; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.09 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 37.229 cm³; (15)Molar Volume: 111.799 cm³; (16)Polarizability: 14.759×10^-24cm³; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.405 g/cm³; (19)Flash Point: 122.377 °C; (20)Enthalpy of Vaporization: 51.738 kJ/mol; (21)Boiling Point: 278.738 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c(cc(c(c1F)C=O)F)N
(2)InChI: InChI=1/C7H5F2NO/c8-6-1-4(10)2-7(9)5(6)3-11/h1-3H,10H2
(3)InChIKey: JVVIRMCAOKEHPX-UHFFFAOYAM