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1137949-68-8

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Basic Information
CAS No.: 1137949-68-8
Name: 3-Bromopyrazolo[1,5-b]pyridazine
Article Data: 4
Molecular Structure:
Molecular Structure of 1137949-68-8 (3-Bromopyrazolo[1,5-b]pyridazine)
Formula: C6H4BrN3
Molecular Weight: 198.022
Synonyms: Pyrazolo[1, 5-b]pyridazine, 3-bromo-;
Density: 1.891 g/cm3
PSA: 30.19000
LogP: 1.49180
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Specification

The 3-Bromopyrazolo[1, 5-b]pyridazine, with the CAS registry number 1137949-68-8, is also known as Pyrazolo[1, 5-b]pyridazine, 3-bromo-. This chemical's molecular formula is C6H4BrN3 and molecular weight is 198.0201. What's more, its systematic name is 3-Bromopyrazolo[1, 5-b]pyridazine.

Physical properties about 3-Bromopyrazolo[1, 5-b]pyridazine are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.308; (4)ACD/LogD (pH 7.4): 1.308; (5)ACD/BCF (pH 5.5): 5.808; (6)ACD/BCF (pH 7.4): 5.808; (7)ACD/KOC (pH 5.5): 122.606; (8)ACD/KOC (pH 7.4): 122.607; (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: 16.934×10-24 cm3; (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: c1cc2c(cnn2nc1)Br
(2) InChI: InChI=1/C6H4BrN3/c7-5-4-9-10-6(5)2-1-3-8-10/h1-4H
(3) InChIKey: KJJXLSMSVBLMDA-UHFFFAOYAP