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134880-76-5

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Basic Information
CAS No.: 134880-76-5
Name: N-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
Molecular Structure:
Molecular Structure of 134880-76-5 (N-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide)
Formula: C15H8ClF9N2OS
Molecular Weight: 470.7404
Density: 1.576 g/cm3
Boiling Point: 404 °C at 760 mmHg
Flash Point: 198.1 °C
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  • Benzamide,N-[5-chloro-4-(trifluoromethyl)-2-thiazolyl]-N-ethyl-3,5-bis(trifluoromethyl)-

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    134880-76-5

    Benzamide,N-[5-chloro-4-(trifluoromethyl)-2-thiazolyl]-N-ethyl-3,5-bis(trifluoromethyl)-

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Specification

The Benzamide,N-[5-chloro-4-(trifluoromethyl)-2-thiazolyl]-N-ethyl-3,5-bis(trifluoromethyl)- has CAS registry number 134880-76-5. This chemical's molecular formula is C15H8ClF9N2OS and molecular weight is 470.7404. What's more, its IUPAC name is N-[5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide.

Physical properties about the Benzamide,N-[5-chloro-4-(trifluoromethyl)-2-thiazolyl]-N-ethyl-3,5-bis(trifluoromethyl)- are: (1)ACD/LogP: 6.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.14; (4)ACD/LogD (pH 7.4): 6.14; (5)ACD/BCF (pH 5.5): 27141.02; (6)ACD/BCF (pH 7.4): 27141.02; (7)ACD/KOC (pH 5.5): 51900.88; (8)ACD/KOC (pH 7.4): 51900.88; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 61.44 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 86.47 cm3; (15)Molar Volume: 298.5 cm3; (16)Surface Tension: 32.8 dyne/cm; (17)Density: 1.576 g/cm3; (18)Flash Point: 198.1 °C; (19)Enthalpy of Vaporization: 65.54 kJ/mol; (20)Boiling Point: 404 °C at 760 mmHg; (21)Vapour Pressure: 9.75E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N(c2nc(c(Cl)s2)C(F)(F)F)CC
(2) InChI: InChI=1/C15H8ClF9N2OS/c1-2-27(12-26-9(10(16)29-12)15(23,24)25)11(28)6-3-7(13(17,18)19)5-8(4-6)14(20,21)22/h3-5H,2H2,1H3
(3) InChIKey: LSALVOIOLHETBZ-UHFFFAOYAL