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1246552-49-7

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Basic Information
CAS No.: 1246552-49-7
Name: Pyrazolo[1,5-a]pyrazine, 4-bromo-
Molecular Structure:
Molecular Structure of 1246552-49-7 (Pyrazolo[1,5-a]pyrazine, 4-bromo-)
Formula: C6H4BrN3
Molecular Weight: 198.02
Density: 1.891 g/cm3
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Specification

The Pyrazolo[1,5-a]pyrazine, 4-bromo- has CAS registry number 3469-20-3. This chemical's molecular formula is C6H4BrN3 and molecular weight is 198.02. What's more, its systematic name is 4-bromopyrazolo[1,5-a]pyrazine.

Physical properties of Pyrazolo[1,5-a]pyrazine, 4-bromo- are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.411; (4)ACD/LogD (pH 7.4): 1.411; (5)ACD/BCF (pH 5.5): 6.961; (6)ACD/BCF (pH 7.4): 6.961; (7)ACD/KOC (pH 5.5): 139.574; (8)ACD/KOC (pH 7.4): 139.574; (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: 1.751; (14)Molar Refractivity: 42.715 cm3; (15)Molar Volume: 104.7 cm3; (16)Polarizability: 16.934×10-24cm3; (17)Surface Tension: 61.834 dyne/cm; (18)Density: 1.891 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnn2c1c(ncc2)Br
(2)Std. InChI: InChI=1S/C6H4BrN3/c7-6-5-1-2-9-10(5)4-3-8-6/h1-4H
(3)Std. InChIKey: VLNBPLSGORMPBW-UHFFFAOYSA-N