Methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate supplier

Name
methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
EINECS
CAS No. 940284-55-9
Article Data9
CAS DataBase
Density 1.684 g/cm³
Solubility
Melting Point
Formula C₈H₅Cl₂N₃O₂
Boiling Point
Molecular Weight 260.079
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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
PSA 56.49000
LogP 2.21280

Methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate 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

Product Name

methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate

Methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate Specification

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