Pyrimidine,4-chloro-5-fluoro- (347418-42-2)

The 4-Chloro-5-fluoropyrimidine with cas registry number of 347418-42-2, belongs to the following product categories: (1)PYRIMIDINE; (2)Pyrimidine series; (3)Building Blocks. It systematic name and IUPAC name are the same, which is 4-chloro-5-fluoro-pyrimidine. Besides this, it is also named Pyrimidine, 4-chloro-5-fluoro-.

Physical properties about this chemical are: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.88; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 25.78 Å²; (9)Index of Refraction: 1.505; (10)Molar Refractivity: 27.32 cm³; (11)Molar Volume: 92 cm³; (12)Polarizability: 10.83×10^-24cm³; (13)Surface Tension: 45.1 dyne/cm; (14)Enthalpy of Vaporization: 40.03 kJ/mol; (15)Vapour Pressure: 1.18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncncc1F;
(2)InChI: InChI=1/C4H2ClFN2/c5-4-3(6)1-7-2-8-4/h1-2H;
(3)InChIKey: APSSAJKZELMQNM-UHFFFAOYAG;
(4)Std. InChI: InChI=1S/C4H2ClFN2/c5-4-3(6)1-7-2-8-4/h1-2H;
(5)Std. InChIKey: APSSAJKZELMQNM-UHFFFAOYSA-N