4-Chloro-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidine (610277-86-6)

The 4-Chloro-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidine with the cas number 610277-86-6 is also called 1H-pyrazolo[3,4-d]pyrimidine, 4-chloro-1-(2,4-dimethylphenyl)-. Its molecular formula is C₁₃H₁₁ClN₄. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 146.6; (6)ACD/BCF (pH 7.4): 146.6; (7)ACD/KOC (pH 5.5): 1236.32; (8)ACD/KOC (pH 7.4): 1236.32; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.6Ų; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 72.15 cm³; (15)Molar Volume: 188.8 cm³; (16)Polarizability: 28.6×10^-24cm³; (17)Surface Tension: 48.7 dyne/cm; (18)Enthalpy of Vaporization: 59.82 kJ/mol; (19)Vapour Pressure: 3.62×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncnc2c1cnn2c3ccc(cc3C)C
(2)InChI: InChI=1/C13H11ClN4/c1-8-3-4-11(9(2)5-8)18-13-10(6-17-18)12(14)15-7-16-13/h3-7H,1-2H3
(3)InChIKey: VZGUDTKDGFFRHH-UHFFFAOYAX