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33858-36-5

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Basic Information
CAS No.: 33858-36-5
Name: 2，6-di（benzo（d）oxazol-2-yl）pyridine
Article Data: 7
Molecular Structure:
Molecular Structure of 33858-36-5 (2，6-di（benzo（d）oxazol-2-yl）pyridine)
Formula: C19H11N3O2
Molecular Weight: 313.315
Synonyms: 2,6-Bis(2-benzoxazolyl)pyridine;
Density: 1.341 g/cm3
Melting Point: 120 °C
Boiling Point: 479.4 °C at 760 mmHg
Flash Point: 242.1 °C
PSA: 64.95000
LogP: 4.69800
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Specification

The Benzoxazole,2,2'-(2,6-pyridinediyl)bis-, with the CAS registry number 33858-36-5, is also known as 2,2'-Pyridine-2,6-diylbis(1,3-benzoxazole). This chemical's molecular formula is C19H11N3O2 and molecular weight is 313.315. What's more, its IUPAC name is called 2-[6-(1,3-Benzoxazol-2-yl)pyridin-2-yl]-1,3-benzoxazole.

Physical properties about Benzoxazole,2,2'-(2,6-pyridinediyl)bis- are: (1)ACD/LogP: 5.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.41; (4)ACD/LogD (pH 7.4): 5.41; (5)ACD/BCF (pH 5.5): 7635.86; (6)ACD/BCF (pH 7.4): 7635.86; (7)ACD/KOC (pH 5.5): 20938.26; (8)ACD/KOC (pH 7.4): 20938.26; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 64.95 Å2; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 89.99 cm3; (15)Molar Volume: 233.4 cm3; (16)Surface Tension: 60.8 dyne/cm; (17)Density: 1.341 g/cm3; (18)Flash Point: 242.1 °C; (19)Enthalpy of Vaporization: 71.53 kJ/mol; (20)Boiling Point: 479.4 °C at 760 mmHg; (21)Vapour Pressure: 6.88E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c5ccccc5oc1c4nc(c2nc3ccccc3o2)ccc4
(2) InChI: InChI=1/C19H11N3O2/c1-3-10-16-12(6-1)21-18(23-16)14-8-5-9-15(20-14)19-22-13-7-2-4-11-17(13)24-19/h1-11H
(3) InChIKey: LABDAMKZNFRJIA-UHFFFAOYAT