Ethyl 5,7-dichloro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylate (1053656-63-5)

The Ethyl 5,7-dichloro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylate, with the CAS registry number 1053656-63-5, is also known as 5,7-Dichloro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid ethyl ester. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C₈H₆Cl₂N₄O₂ and molecular weight is 261.06. Its systematic name is called ethyl 5,7-dichloro-1H-pyrazolo[4,5-d]pyrimidine-3-carboxylate.

Physical properties of Ethyl 5,7-dichloro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylate: (1)ACD/LogP: 1.63; (2)#H bond acceptors: 6; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 80.76 Å²; (6)Index of Refraction: 1.659; (7)Molar Refractivity: 58.99 cm³; (8)Molar Volume: 159.8 cm³; (9)Surface Tension: 74.4 dyne/cm; (10)Density: 1.633 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c2nnc1c(Cl)nc(Cl)nc12
(2)InChI: InChI=1/C8H6Cl2N4O2/c1-2-16-7(15)5-3-4(13-14-5)6(9)12-8(10)11-3/h2H2,1H3,(H,13,14)
(3)InChIKey: XCTJYEKMWZSXFV-UHFFFAOYAI