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CAS No.: | 947248-68-2 |
---|---|
Name: | 6-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C6H5BrN4 |
Molecular Weight: | 213.037 |
Synonyms: | TC-071407; |
Density: | 2.098 g/cm3 |
PSA: | 56.21000 |
LogP: | 1.65520 |
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The 6-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine, also known as TC-071407, is an organic compound with the formula C6H5BrN4. With the CAS registry number 947248-68-2, its IUPAC name is 6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
Physical properties of 6-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine: (1)ACD/LogP: 1.48; (2)ACD/LogD (pH 5.5): 1.455; (3)ACD/LogD (pH 7.4): 1.48; (4)ACD/BCF (pH 5.5): 7.412; (5)ACD/BCF (pH 7.4): 7.85; (6)ACD/KOC (pH 5.5): 143.594; (7)ACD/KOC (pH 7.4): 152.085; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)Index of Refraction: 1.831; (11)Molar Refractivity: 44.63 cm3; (12)Molar Volume: 101.56 cm3; (13)Surface Tension: 76.913 dyne/cm; (14)Density: 2.098 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=NC(=NN2C=C1Br)N
(2)InChI: InChI=1S/C6H5BrN4/c7-4-1-2-5-9-6(8)10-11(5)3-4/h1-3H,(H2,8,10)
(3)InChIKey: XHBQNLHFUPSZNL-UHFFFAOYSA-N