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Basic Information
CAS No.: 78451-14-6
Name: ETHYL-2-CHLORO-4-(TRIFLUOROMETHYL)OXAZOLE-5-CARBOXYLATE
Molecular Structure:
Molecular Structure of 78451-14-6 (ETHYL-2-CHLORO-4-(TRIFLUOROMETHYL)OXAZOLE-5-CARBOXYLATE)
Formula: C7H5ClF3NO3
Molecular Weight: 242.99
Synonyms: Ethyl 2-chloro-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate;
Density: 1.473 g/cm3
Boiling Point: 280.734 °C at 760 mmHg
Flash Point: 123.584 °C
PSA: 52.33000
LogP: 2.52350
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Specification

The 5-Oxazolecarboxylicacid, 2-chloro-4-(trifluoromethyl)-, ethyl ester, with the CAS registry number 78451-14-6, is also known as Ethyl 2-chloro-4-(trifluoromethyl)oxazole-5-carboxylate. This chemical's molecular formula is C7H5ClF3NO3 and molecular weight is 242.99. What's more, its IUPAC name is called Ethyl 2-chloro-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate.

Physical properties about 5-Oxazolecarboxylicacid, 2-chloro-4-(trifluoromethyl)-, ethyl ester are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.51; (6)ACD/BCF (pH 7.4): 3.51; (7)ACD/KOC (pH 5.5): 85.49; (8)ACD/KOC (pH 7.4): 85.49; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.33 Å2; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 42.925 cm3; (15)Molar Volume: 165.312 cm3; (16)Polarizability: 17.017×10-24cm3; (17)Surface Tension: 31.98 dyne/cm ; (18)Density: 1.473 g/cm3; (19)Flash Point: 123.584 °C; (20)Enthalpy of Vaporization: 51.949 kJ/mol; (21)Boiling Point: 280.734 °C at 760 mmHg; (22)Vapour Pressure: 0.0040 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1nc(Cl)oc1C(=O)OCC
(2) InChI: InChI=1S/C7H5ClF3NO3/c1-2-14-5(13)3-4(7(9,10)11)12-6(8)15-3/h2H2,1H3
(3) InChIKey: FDXRMXXUIRNASG-UHFFFAOYSA-N