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CAS No.: | 189116-36-7 |
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Name: | 5-chloro-2-methylpyrazolo[1,5-a]pyrimidine |
Molecular Structure: | |
Formula: | C7H6ClN3 |
Molecular Weight: | 167.60 |
Synonyms: | 5-chloro-2-methylpyrazolo[1,5-a]pyrimidine |
Density: | 1.436 g/cm3 |
PSA: | 30.19000 |
LogP: | 1.69110 |
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The Pyrazolo[1,5-a]pyrimidine, 5-chloro-2-methyl- has CAS registry number 189116-36-7. This chemical's molecular formula is C7H6ClN3 and molecular weight is 167.60. What's more, its systematic name is 5-chloro-2-methyl-pyrazolo[1,5-a]pyrimidine.
Physical properties of Pyrazolo[1,5-a]pyrimidine, 5-chloro-2-methyl- are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.775; (4)ACD/LogD (pH 7.4): 1.775; (5)ACD/BCF (pH 5.5): 13.151; (6)ACD/BCF (pH 7.4): 13.151; (7)ACD/KOC (pH 5.5): 220.075; (8)ACD/KOC (pH 7.4): 220.077; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.19 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 44.183 cm3; (15)Molar Volume: 116.746 cm3; (16)Polarizability: 17.515×10-24cm3; (17)Surface Tension: 49.711 dyne/cm; (18)Density: 1.436 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc2nc(ccn2n1)Cl
(2)Std. InChI: InChI=1S/C7H6ClN3/c1-5-4-7-9-6(8)2-3-11(7)10-5/h2-4H,1H3
(3)Std. InChIKey: CFBYPOBAHXWIFK-UHFFFAOYSA-N