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| CAS No.: | 868362-18-9 |
|---|---|
| Name: | 8-BROMO-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE |
| Molecular Structure: | |
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| Formula: | C6H4BrN3 |
| Molecular Weight: | 198.022 |
| Synonyms: | 8-Bromo-[1,2,4]triazolo[1,5-a]pyridine; |
| Density: | 1.891 g/cm3 |
| Melting Point: | 150-152°C |
| PSA: | 30.19000 |
| LogP: | 1.49180 |
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- Total:37 Page 1 of 1 1
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Specification
The 8-Bromo-[1,2,4]triazolo[1,5-a]pyridine with the CAS number 868362-18-9 is also called [1,2,4]Triazolo[1,5-a]pyridine,8-bromo-. Its molecular formula is C6H4BrN3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 8-Bromo-[1,2,4]triazolo[1,5-a]pyridine are: (1)ACD/LogP: -0.02; (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: Brc1cccn2ncnc12
(2)InChI: InChI=1/C6H4BrN3/c7-5-2-1-3-10-6(5)8-4-9-10/h1-4H
(3)InChIKey: NATZWIFAAIXCTQ-UHFFFAOYAR