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| CAS No.: | 143329-58-2 |
|---|---|
| Name: | 5-BROMO-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H4BrN3 |
| Molecular Weight: | 198.022 |
| Synonyms: | 5-Bromo[1,2,4]triazolo[1,5-a]pyridine |
| Density: | 1.891 g/cm3 |
| Melting Point: | 145-150°C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 30.19000 |
| LogP: | 1.49180 |
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Specification
The 5-Bromo[1,2,4]triazolo[1,5-a]pyridine, with cas registry number 143329-58-2, belongs to the following product categories: (1)Building Blocks; (2)Pyridine. Its systematic name and its IUPAC name are the same, which is 5-bromo[1,2,4]triazolo[1,5-a]pyridine. Besides this, it is also called [1,2,4]Triazolo[1,5-a]pyridine, 5-bromo-.
Physical properties about this chemical are: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 147; (8)ACD/KOC (pH 7.4): 147; (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.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc2ncnn12
(2)InChI: InChI=1/C6H4BrN3/c7-5-2-1-3-6-8-4-9-10(5)6/h1-4H
(3)InChIKey: FTRKHVUBTUHSQK-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H4BrN3/c7-5-2-1-3-6-8-4-9-10(5)6/h1-4H
(5)Std. InChIKey: FTRKHVUBTUHSQK-UHFFFAOYSA-N