4-Chloro-2-methoxypyrimidine (51421-99-9)

The 4-Chloro-2-methoxypyrimidine with the CAS number 51421-99-9 is also called Pyrimidine, 4-chloro-2-methoxy- (9CI). Its molecular formula is C₅H₅ClN₂O. This chemical belongs to the following product categories: (1)Pyrimidine; (2)Building Blocks.

The properties of the chemical are: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.892; (4)ACD/LogD (pH 7.4): 0.892; (5)ACD/BCF (pH 5.5): 2.807; (6)ACD/BCF (pH 7.4): 2.807; (7)ACD/KOC (pH 5.5): 72.863; (8)ACD/KOC (pH 7.4): 72.863; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.01 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 34.009 cm³; (15)Molar Volume: 111.834 cm³; (16)Polarizability: 13.482×10^-24cm³; (17)Surface Tension: 44.048 dyne/cm; (18)Enthalpy of Vaporization: 45.212 kJ/mol; (19)Vapour Pressure: 0.08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1nccc(n1)Cl
(2)InChI: InChI=1/C5H5ClN2O/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
(3)InChIKey: XCAMEGPUILTZSU-UHFFFAOYAE