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1H-Indole-3-aceticacid, 2-(trifluoromethyl)- (132502-93-3)

Identification
Name:1H-Indole-3-aceticacid, 2-(trifluoromethyl)-
Synonyms:2-(Trifluoromethyl)-1H-indole-3-acetic acid;2-Trifluoromethylindole-3-acetic acid;
CAS:132502-93-3
Molecular Formula: C11H8F3NO2
Molecular Weight: 243.18
InChI: InChI=1/C11H8F3NO2/c12-11(13,14)10-7(5-9(16)17)6-3-1-2-4-8(6)15-10/h1-4,15H,5H2,(H,16,17)
Molecular Structure: (C11H8F3NO2) 2-(Trifluoromethyl)-1H-indole-3-acetic acid;2-Trifluoromethylindole-3-acetic acid;
Properties
Density:1.493
Refractive index:1.585
Specification:

The 2-(Trifluoromethyl)-1H-indole-3-acetic acid with the cas number 132502-93-3 is also called 1H-Indole-3-aceticacid, 2-(trifluoromethyl)-. The systematic name is [2-(trifluoromethyl)-1H-indol-3-yl]acetic acid. Its molecular formula is C11H8F3NO2. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.66; (4)ACD/LogD (pH 7.4): -1.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.43; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.23 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 54.62 cm3; (15)Molar Volume: 162.8 cm3; (16)Polarizability: 21.65×10-24cm3; (17)Surface Tension: 46.9 dyne/cm; (18)Enthalpy of Vaporization: 67.12 kJ/mol  ; (19)Vapour Pressure: 1.08×10-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2c(c1ccccc1n2)CC(=O)O
(2)InChI: InChI=1/C11H8F3NO2/c12-11(13,14)10-7(5-9(16)17)6-3-1-2-4-8(6)15-10/h1-4,15H,5H2,(H,16,17)
(3)InChIKey: QZRVCUOJFCWPCW-UHFFFAOYAX

Safety Data
 

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