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59049-84-2

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Basic Information
CAS No.: 59049-84-2
Name: 2，2-m-pheylene-bis-benzoxazol
Article Data: 4
Molecular Structure:
Molecular Structure of 59049-84-2 (2，2-m-pheylene-bis-benzoxazol)
Formula: C20H12N2O2
Molecular Weight: 312.327
Synonyms: Benzoxazole,2,2'-m-phenylenebis- (6CI,7CI);
Density: 1.299 g/cm3
Boiling Point: 458 °C at 760 mmHg
Flash Point: 225.3 °C
PSA: 52.06000
LogP: 5.30300
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Specification

The Benzoxazole,2,2'-(1,3-phenylene)bis-, with the CAS registry number 59049-84-2, is also known as 2,2-m-Pheylene-bis-benzoxazol. This chemical's molecular formula is C20H12N2O2 and molecular weight is 312.327. What's more, its systematic name is called 2,2'-Benzene-1,3-diylbis(1,3-benzoxazole).

Physical properties about Benzoxazole,2,2'-(1,3-phenylene)bis- are: (1)ACD/LogP: 6.08; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 52.06 Å2; (7)Index of Refraction: 1.69; (8)Molar Refractivity: 91.9 cm3; (9)Molar Volume: 240.2 cm3; (10)Surface Tension: 56.2 dyne/cm; (11)Density: 1.299 g/cm3; (12)Flash Point: 225.3 °C; (13)Enthalpy of Vaporization: 69.07 kJ/mol; (14)Boiling Point: 458 °C at 760 mmHg; (15)Vapour Pressure: 3.87E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c5ccccc5oc1c4cccc(c2nc3ccccc3o2)c4
(2) InChI: InChI=1/C20H12N2O2/c1-3-10-17-15(8-1)21-19(23-17)13-6-5-7-14(12-13)20-22-16-9-2-4-11-18(16)24-20/h1-12H
(3) InChIKey: RYDGJSHONGAQOS-UHFFFAOYAM