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940284-55-9

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Basic Information
CAS No.: 940284-55-9
Name: methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
Article Data: 9
Molecular Structure:
Molecular Structure of 940284-55-9 (methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate)
Formula: C8H5Cl2N3O2
Molecular Weight: 260.079
Synonyms: methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;5-a]pyriMidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyriMidine-3-carboxylate
Density: 1.684 g/cm3
PSA: 56.49000
LogP: 2.21280
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Specification

The Methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate, with the cas registry number 940284-55-9, belongs to the category of Chiral chemicals. The molecular formula of the chemical is C8H5Cl2N3O2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.142; (4)ACD/LogD (pH 7.4): 2.142; (5)ACD/BCF (pH 5.5): 24.996; (6)ACD/BCF (pH 7.4): 24.996; (7)ACD/KOC (pH 5.5): 348.512; (8)ACD/KOC (pH 7.4): 348.512; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 56.49 Å2; (13)Index of Refraction: 1.687; (14)Molar Refractivity: 55.634 cm3; (15)Molar Volume: 146.13 cm3; (16)Polarizability: 22.055×10-24cm3; (17)Surface Tension: 57.44 dyne/cm; (18)Density: 1.684 g/cm3.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COC(=O)c1cnn2c1nc(cc2Cl)Cl
(2)InChI: InChI=1/C8H5Cl2N3O2/c1-15-8(14)4-3-11-13-6(10)2-5(9)12-7(4)13/h2-3H,1H3
(3)InChIKey: LCMDZGZZFUIKJQ-UHFFFAOYAA