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81558-19-2

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Basic Information
CAS No.: 81558-19-2
Name: 2,3-Dimethyl-5-(trifluoromethyl)-1H-indole
Article Data: 7
Molecular Structure:
Molecular Structure of 81558-19-2 (2,3-Dimethyl-5-(trifluoromethyl)-1H-indole)
Formula: C11H10F3N
Molecular Weight: 213.20
Synonyms: 2,3-dimethyl-5-trifluoromethylindole;
Density: 1.269 g/cm3
Melting Point: 110-111 °C
Boiling Point: 290.8 °C at 760 mmHg
Flash Point: 129.7 °C
PSA: 15.79000
LogP: 3.80350
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Specification

The CAS register number of 2,3-Dimethyl-5-(trifluoromethyl)-1H-indole is 81558-19-2. The systematic name about this chemical is 2,3-dimethyl-5-(trifluoromethyl)-1H-indole. The Molecular Formula about this chemical is C11H10F3N.

Physical properties about 2,3-Dimethyl-5-(trifluoromethyl)-1H-indole are: (1)ACD/LogP: 3.63; (2)ACD/LogD (pH 5.5): 3.63; (3)ACD/LogD (pH 7.4): 3.63; (4)#H bond acceptors: 1; (5)#H bond donors: 1; (6)Polar Surface Area: 15.79Å2; (7)Index of Refraction: 1.545; (8)Molar Refractivity: 53.15 cm3; (9)Molar Volume: 167.9 cm3; (10)Polarizability: 21.07x10-24cm3; (11)Surface Tension: 33.2 dyne/cm; (12)Enthalpy of Vaporization: 50.89 kJ/mol; (13)Boiling Point: 290.8 °C at 760 mmHg; (14)Vapour Pressure: 0.00353 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c([nH]c2c1cc(cc2)C(F)(F)F)C
(2)InChI: InChI=1/C11H10F3N/c1-6-7(2)15-10-4-3-8(5-9(6)10)11(12,13)14/h3-5,15H,1-2H3
(3)InChIKey: DGZNEPYFRHNSEX-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C11H10F3N/c1-6-7(2)15-10-4-3-8(5-9(6)10)11(12,13)14/h3-5,15H,1-2H3
(5)Std. InChIKey: DGZNEPYFRHNSEX-UHFFFAOYSA-N