Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate |
EINECS | N/A |
CAS No. | 940284-55-9 | Density | 1.684 g/cm3 |
PSA | 56.49000 | LogP | 2.21280 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5Cl2N3O2 | Boiling Point | N/A |
Molecular Weight | 260.079 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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 |
Article Data | 9 |
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