Basic information
- Name:
1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one,6-bromo-
- CAS No.:
425702-91-6
- Molecular Structure:
![Molecular Structure of 425702-91-6 (1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one,6-bromo-)](http://www.lookchem.com/300w/2010/0626/425702-91-6.jpg)
- Formula:
- C6H4BrN3O
- Molecular Weight:
- 214.0195
- Density:
- 2.09 g/cm3
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Specification
This chemical is called 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one,6-bromo-, and its systematic name is 6-bromo[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one. With the molecular formula of C6H4BrN3O, its molecular weight is 214.0195. The CAS registry number of this chemical is 425702-91-6.
Other characteristics of the 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one,6-bromo- can be summarised as followings: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 8.45; (4)ACD/KOC (pH 7.4): 3.25; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 44.7 Å2; (9)Index of Refraction: 1.798; (10)Molar Refractivity: 43.56 cm3; (11)Molar Volume: 102 cm3; (12)Polarizability: 17.27×10-24cm3; (13)Surface Tension: 73.9 dyne/cm; (14)Density: 2.09 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: Br/C/1=C/N2C(\C=C\1)=N/NC2=O
2.InChI: InChI=1/C6H4BrN3O/c7-4-1-2-5-8-9-6(11)10(5)3-4/h1-3H,(H,9,11)
3.InChIKey: KZVFUYHFHBBPPD-UHFFFAOYAU
