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100366-68-5

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Basic Information
CAS No.: 100366-68-5
Name: 6-BROMO-2,2':6',2''-TERPYRIDINE
Article Data: 10
Molecular Structure:
Molecular Structure of 100366-68-5 (6-BROMO-2,2':6',2''-TERPYRIDINE)
Formula: C15H10BrN3
Molecular Weight: 312.168
Synonyms: 6-Bromo-2,2':6',2''-terpyridine;
Density: 1.446 g/cm3
Boiling Point: 438.5 °C at 760 mmHg
Flash Point: 219 °C
PSA: 38.67000
LogP: 3.96810
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Specification

The 2,2':6',2''-Terpyridine,6-bromo-, also known as 6-Brom-2,2':6',2''-terpyridin, is the organic compound with the formula C15H10BrN3. With the CAS registry number 100366-68-5, its systematic name is called 6-bromo-2,2':6',2''-terpyridine.

Physical properties of 2,2':6',2''-Terpyridine,6-bromo-: (1)ACD/LogP: 2.84; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.636; (5)Molar Refractivity: 77.4 cm3; (6)Molar Volume: 215.8 cm3; (7)Surface Tension: 54.6 dyne/cm; (8)Density: 1.446 g/cm3; (9)Flash Point: 219 °C; (10)Enthalpy of Vaporization: 66.85 kJ/mol; (11)Boiling Point: 438.5 °C at 760 mmHg; (12)Vapour Pressure: 1.76E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccnc(c1)c2cccc(n2)c3cccc(n3)Br
(2)InChI: InChI=1/C15H10BrN3/c16-15-9-4-8-14(19-15)13-7-3-6-12(18-13)11-5-1-2-10-17-11/h1-10H
(3)InChIKey: NOECZPHCYMKZOF-UHFFFAOYAP