Product Name

  • Name

    ethyl 5,7-dichloro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylate

  • EINECS
  • CAS No. 1053656-63-5
  • Density 1.633 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H6Cl2N4O2
  • Boiling Point
  • Molecular Weight 261.06
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 1053656-63-5 (ethyl 5,7-dichloro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylate)
  • Hazard Symbols
  • Synonyms 5,7-Dichloro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid ethyl ester;
  • PSA 80.76000
  • LogP 1.83640

Ethyl 5,7-dichloro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylate Specification

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

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