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378802-40-5

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CAS No.: 378802-40-5
Name: 2-(5-Trifluoromethyl-1H-indol-3-yl)acetic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 378802-40-5 (2-(5-Trifluoromethyl-1H-indol-3-yl)acetic acid)
Formula: C11H8F3NO2
Molecular Weight: 243.18
Synonyms: 2-(5-(trifluoromethyl)-1H-indol-3-yl)acetic acid;
Density: 1.494 g/cm3
Boiling Point: 405.098 °C at 760 mmHg
Flash Point: 198.797 °C
PSA: 53.09000
LogP: 2.81380
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Specification

This chemical is called 2-(5-Trifluoromethyl-1H-indol-3-yl)acetic acid, and it can also be named as [5-(trifluoromethyl)-1H-indol-3-yl]acetic acid. With the molecular formula of C11H8F3NO2, its molecular weight is 243.18. The CAS registry number of this chemical is 378802-40-5.

Other characteristics of the 2-(5-Trifluoromethyl-1H-indol-3-yl)acetic acid can be summarised as followings: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1 ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 53.09 Å2; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 54.622 cm3; (14)Molar Volume: 162.825 cm3; (15)Polarizability: 21.654×10-24cm3; (16)Surface Tension: 46.991 dyne/cm; (17)Density: 1.494 g/cm3; (18)Flash Point: 198.797 °C; (19)Enthalpy of Vaporization: 69.242 kJ/mol; (20)Boiling Point: 405.098 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: FC(F)(F)c1cc2c(cc1)ncc2CC(O)=O
2.InChI: InChI=1/C11H8F3NO2/c12-11(13,14)7-1-2-9-8(4-7)6(5-15-9)3-10(16)17/h1-2,4-5,15H,3H2,(H,16,17)
3.InChIKey: JSNULZACNINBHS-UHFFFAOYAJ