Specification: |
The 2,2'-(1,4-Butanediyl)bis-1,3-benzoxazole with its cas register number is 2008-10-8. It also can be called as Benzoxazole,2,2'-(1,4-butanediyl)bis- and the IUPAC Name about this chemical is 2,2'-butane-1,4-diylbis(1,3-benzoxazole).
Physical properties about 2,2'-(1,4-Butanediyl)bis-1,3-benzoxazole are: (1)ACD/LogP: 4.25; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 52.06Å2; (5)Index of Refraction: 1.648; (6)Molar Refractivity: 86.02 cm3; (7)Molar Volume: 236.2 cm3; (8)Polarizability: 34.1x10-24cm3; (9)Surface Tension: 53.7 dyne/cm; (10)Enthalpy of Vaporization: 67.03 kJ/mol; (11)Vapour Pressure: 1.56E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c4ccccc4oc1CCCCc2nc3ccccc3o2
(2)InChI: InChI=1/C18H16N2O2/c1-3-9-15-13(7-1)19-17(21-15)11-5-6-12-18-20-14-8-2-4-10-16(14)22-18/h1-4,7-10H,5-6,11-12H2
(3)InChIKey: LNGWMLBHQIUQIX-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C18H16N2O2/c1-3-9-15-13(7-1)19-17(21-15)11-5-6-12-18-20-14-8-2-4-10-16(14)22-18/h1-4,7-10H,5-6,11-12H2
(5)Std. InChIKey: LNGWMLBHQIUQIX-UHFFFAOYSA-N
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