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Basic Information
CAS No.: 2008-04-0
Name: 2-Trifluoromethylbenzoxazole
Molecular Structure:
Molecular Structure of 2008-04-0 (2-Trifluoromethylbenzoxazole)
Formula: C8H4F3NO
Molecular Weight: 187.12
Synonyms: 2-Trifluoromethylbenzoxazole;
Density: 1.406 g/cm3
Boiling Point: 147.7 °C at 760 mmHg
Flash Point: 43.1 °C
PSA: 26.03000
LogP: 2.84660
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Specification

The CAS register number of 2-Trifluoromethylbenzoxazole is 2008-04-0. It also can be called as Benzoxazole,2-(trifluoromethyl)- and the systematic name about this chemical is 2-(trifluoromethyl)-1,3-benzoxazole. The molecular formula about this chemical is C8H4F3NO and the molecular weight is 187.12.

Physical properties about 2-Trifluoromethylbenzoxazole are: (1)ACD/LogP: 2.84; (2)ACD/LogD (pH 5.5): 2.84; (3)ACD/LogD (pH 7.4): 2.84; (4)ACD/BCF (pH 5.5): 84.2; (5)ACD/BCF (pH 7.4): 84.2; (6)ACD/KOC (pH 5.5): 831.27; (7)ACD/KOC (pH 7.4): 831.27; (8)#H bond acceptors: 2; (9)Polar Surface Area: 26.03Å2; (10)Index of Refraction: 1.504; (11)Molar Refractivity: 39.46 cm3; (12)Molar Volume: 133 cm3; (13)Polarizability: 15.64x10-24cm3; (14)Surface Tension: 31.9 dyne/cm; (15)Enthalpy of Vaporization: 36.88 kJ/mol; (16)Boiling Point: 147.7 °C at 760 mmHg; (17)Vapour Pressure: 5.55 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1nc2ccccc2o1
(2)InChI: InChI=1/C8H4F3NO/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H
(3)InChIKey: PXCLUIRANQLJTI-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H4F3NO/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H
(5)Std. InChIKey: PXCLUIRANQLJTI-UHFFFAOYSA-N