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

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Name

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

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

5,7-Dichloro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid ethyl ester;

 

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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