4-Chloropyrido[3,2-d]pyrimidine (51674-77-2)

The 4-Chloropyrido[3,2-d]pyrimidine with the cas number 51674-77-2 is also called Pyrido[3,2-d]pyrimidine, 4-chloro-. Its molecular formula is C₇H₄ClN₃. The product category is chiral chemicals. 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: 0.05; (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): 23; (6)ACD/KOC (pH 7.4): 23; (7)#H bond acceptors: 3; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 38.67 Å²; (11)Index of Refraction: 1.675; (12)Molar Refractivity: 43.264 cm³; (13)Molar Volume: 115.171 cm³; (14)Polarizability: 17.151×10^-24cm³; (15)Surface Tension: 66.93 dyne/cm; (16)Enthalpy of Vaporization: 51.564 kJ/mol; (17)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncnc1cccnc12
(2)InChI: InChI=1/C7H4ClN3/c8-7-6-5(10-4-11-7)2-1-3-9-6/h1-4H
(3)InChIKey: PVTHTRIHQGKZNE-UHFFFAOYAM