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2H-Indol-2-one,1,3-dihydro-5-(trifluoromethoxy)- (403853-48-5)

Identification
Name:2H-Indol-2-one,1,3-dihydro-5-(trifluoromethoxy)-
Synonyms:5-(Trifluoromethoxy)indolin-2-one;2-Oxo-5-(trifluoromethoxy)indoline;3-Fluorobenzonitrile;3-Fluorobenzonitrile;
CAS:403853-48-5
Molecular Formula: C9H6F3NO2
Molecular Weight: 217.14
Molecular Structure: (C9H6F3NO2) 5-(Trifluoromethoxy)indolin-2-one;2-Oxo-5-(trifluoromethoxy)indoline;3-Fluorobenzonitrile;3-Fluorobe...
Properties
Density:1.433 g/cm3
Specification:

The 5-(Trifluoromethoxy)oxindole, with the CAS registry number 403853-48-5, has the systematic name of 5-(trifluoromethoxy)indolin-2-one. It is a kind of irritant chemical, and belongs to the following product categories: Blocks; Indoles Oxindoles; Indoline & Oxindole. And the molecular formula of the chemical is C9H6F3NO2.

The characteristics of 5-(Trifluoromethoxy)oxindole are as followings: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2 ; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 38.33 Å2; (9)Index of Refraction: 1.498; (10)Molar Refractivity: 44.42 cm3; (11)Molar Volume: 151.4 cm3; (12)Polarizability: 17.61×10-24cm3; (13)Surface Tension: 34.9 dyne/cm; (14)Density: 1.433 g/cm3; (15)Flash Point: 137.6 °C; (16)Enthalpy of Vaporization: 54.42 kJ/mol; (17)Boiling Point: 303.9 °C at 760 mmHg; (18)Vapour Pressure: 0.000903 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)Oc1cc2CC(=O)Nc2cc1
(2)InChI: InChI=1/C9H6F3NO2/c10-9(11,12)15-6-1-2-7-5(3-6)4-8(14)13-7/h1-3H,4H2,(H,13,14)
(3)InChIKey: NJZFZLIOCDIELL-UHFFFAOYAW

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