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215530-62-4

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Basic Information
CAS No.: 215530-62-4
Name: 6-CHLORO-[1,2,4]TRIAZOLO[1,5-B]PYRIDAZINE-2-CARBOXYLIC ACID
Article Data: 4
Molecular Structure:
Molecular Structure of 215530-62-4 (6-CHLORO-[1,2,4]TRIAZOLO[1,5-B]PYRIDAZINE-2-CARBOXYLIC ACID)
Formula: C6H3ClN4O2
Molecular Weight: 198.568
Synonyms: 6-CHLORO-[1,2,4]TRIAZOLO[1,5-B]PYRIDAZINE-2-CARBOXYLIC ACID;4]triazolo[1;5-b]pyridazine-2-carboxylic acid;6-chloro-[1
Density: 1.967 g/cm3
PSA: 80.38000
LogP: 0.47590
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Specification

This chemical is called 6-Chloro-[1,2,4]triazolo[1,5-b]pyridazine-2-carboxylic acid, and it can also be named as [1,2,4]triazolo[1,5-b]pyridazine-2-carboxylic acid, 6-chloro-. With the molecular formula of C6H3ClN4O2, its molecular weight is 198.57. The CAS registry number of this chemical is 215530-62-4, and its product category is Chiral Chemicals.

Other characteristics of the 6-Chloro-[1,2,4]triazolo[1,5-b]pyridazine-2-carboxylic acid can be summarised as followings: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 80.38 Å2; (11)Index of Refraction: 1.835; (12)Molar Refractivity: 44.51 cm3; (13)Molar Volume: 100.9 cm3; (14)Polarizability: 17.64×10-24cm3; (15)Surface Tension: 89 dyne/cm; (16)Density: 1.96 g/cm3.

You can still convert the following datas into molecular structure: 
1.SMILES: OC(=O)c1nc2ccc(Cl)nn2n1
2.InChI: InChI=1/C6H3ClN4O2/c7-3-1-2-4-8-5(6(12)13)10-11(4)9-3/h1-2H,(H,12,13)
3.InChIKey: FTZDILJQOJEYLX-UHFFFAOYAW