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314245-30-2

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Basic Information
CAS No.: 314245-30-2
Name: 1-ETHANONE, 2-CHLORO-1-[2,5-DIMETHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROL-3-YL]-
Molecular Structure:
Molecular Structure of 314245-30-2 (1-ETHANONE, 2-CHLORO-1-[2,5-DIMETHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROL-3-YL]-)
Formula: C15H13ClF3NO
Molecular Weight: 315.72
Synonyms: 1-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl}-2-chloroethan-1-one;
Density: 1.27 g/cm3
Boiling Point: 396.1 °C at 760 mmHg
Flash Point: 193.3 °C
PSA: 22.00000
LogP: 4.53440
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Specification

The Ethanone,2-chloro-1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-, with the CAS registry number 314245-30-2, is also known as 1-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl}-2-chloroethan-1-one. This chemical's molecular formula is C15H13ClF3NO and molecular weight is 315.718. Its systematic name is called 2-chloro-1-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethanone.

Physical properties of Ethanone,2-chloro-1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-: (1)ACD/LogP: 4.20; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 3; (4)Index of Refraction: 1.526; (5)Molar Refractivity: 75.75 cm3; (6)Molar Volume: 246.8 cm3; (7)Surface Tension: 33.3 dyne/cm; (8)Density: 1.27 g/cm3; (9)Flash Point: 193.3 °C; (10)Enthalpy of Vaporization: 64.63 kJ/mol; (11)Boiling Point: 396.1 °C at 760 mmHg; (12)Vapour Pressure: 1.75E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(c1)n2c(c(cc2C)C(=O)CCl)C
(2)InChI: InChI=1/C15H13ClF3NO/c1-9-6-13(14(21)8-16)10(2)20(9)12-5-3-4-11(7-12)15(17,18)19/h3-7H,8H2,1-2H3
(3)InChIKey: DNYPNPGMOPUINU-UHFFFAOYAO