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Name |
1,2,4-Triazolo[4,3-a]pyridine,6-bromo- |
EINECS | 251-156-6 |
CAS No. | 108281-79-4 | Density | 1.891 g/cm3 |
PSA | 30.19000 | LogP | 1.49180 |
Solubility | N/A | Melting Point |
151-153 °C |
Formula | C6H4BrN3 | Boiling Point | N/A |
Molecular Weight | 198.022 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | Xi:Harmful/Irritant/Keep | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
6-Bromo[1,2,4]triazolo[4,3-a]pyridine; |
Article Data | 6 |
The 1,2,4-Triazolo[4,3-a]pyridine,6-bromo- is an organic compound with the formula C6H4BrN3. The IUPAC name of this chemical is 6-bromo-[1,2,4]triazolo[4,3-a]pyridine and the CAS registry number is 108281-79-4. The product's categories are Blocks; Pyridines. In addition, this chemical should be kept cold.
The other characteristics of 1,2,4-Triazolo[4,3-a]pyridine,6-bromo- can be summarized as: (1)ACD/LogP: 1.27; (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): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 117; (8)ACD/KOC (pH 7.4): 117; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.751; (13)Molar Refractivity: 42.715 cm3; (14)Molar Volume: 104.7 cm3; (15)Polarizability: 16.934×10-24 cm3; (16)Surface Tension: 61.834 dyne/cm; (17)Exact Mass: 196.95886; (18)MonoIsotopic Mass: 196.95886; (19)Topological Polar Surface Area: 30.2; (20)Heavy Atom Count: 10; (21)Complexity: 130.
People can use the following data to convert to the molecule structure.
1. SMILES:c1cc2nncn2cc1Br
2. InChI:InChI=1/C6H4BrN3/c7-5-1-2-6-9-8-4-10(6)3-5/h1-4H
3. InChIKey:PFKZKSHKBBUZKU-UHFFFAOYAA
4. Std. InChI:InChI=1S/C6H4BrN3/c7-5-1-2-6-9-8-4-10(6)3-5/h1-4H
5. Std. InChIKey:PFKZKSHKBBUZKU-UHFFFAOYSA-N