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8-Bromo-[1,2,4]triazolo[1,5-a]pyridine

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Name

8-Bromo-[1,2,4]triazolo[1,5-a]pyridine

EINECS N/A
CAS No. 868362-18-9 Density 1.891 g/cm3
PSA 30.19000 LogP 1.49180
Solubility N/A Melting Point 150-152°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 N/A
Molecular Structure Molecular Structure of 868362-18-9 (8-BROMO-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE) Hazard Symbols N/A
Synonyms

8-Bromo-[1,2,4]triazolo[1,5-a]pyridine;

 

8-Bromo-[1,2,4]triazolo[1,5-a]pyridine 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

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