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CAS No. 172371-96-9 Density 1.525g/cm3
Solubility Melting Point
Formula C18H16Cl2N2O3 Boiling Point 616 °C at 760 mmHg
Molecular Weight 278.13 Flash Point 326.4 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 172371-96-9 (1-(2,6-Dichlorophenyl)-2-indolinone) Hazard Symbols


1-(2,6-Dichlorophenyl)-2-indolinone Specification

The 2H-Indol-2-one,1-(2,6-dichlorophenyl)-3-[[(2,3-dihydroxypropyl)amino]methylene]-1,3-dihydro-,(Z)- (9CI), with CAS registry number 172371-96-9, has the systematic name of (3Z)-1-(2,6-dichlorophenyl)-3-{[(2,3-dihydroxypropyl)amino]methylidene}-1,3-dihydro-2H-indol-2-one. Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C18H16Cl2N2O3.

Physical properties of 2H-Indol-2-one,1-(2,6-dichlorophenyl)-3-[[(2,3-dihydroxypropyl)amino]methylene]-1,3-dihydro-,(Z)- (9CI): (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.58; (5)ACD/BCF (pH 5.5): 310.71; (6)ACD/BCF (pH 7.4): 311.14; (7)ACD/KOC (pH 5.5): 2115.73; (8)ACD/KOC (pH 7.4): 2118.63; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 42.01 Å2; (13)Index of Refraction: 1.723; (14)Molar Refractivity: 98.51 cm3; (15)Molar Volume: 248.5 cm3; (16)Polarizability: 39.05×10-24cm3; (17)Surface Tension: 77 dyne/cm; (18)Density: 1.525 g/cm3; (19)Flash Point: 326.4 °C; (20)Enthalpy of Vaporization: 96.07 kJ/mol; (21)Boiling Point: 616 °C at 760 mmHg; (22)Vapour Pressure: 4.93E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(Cl)c1N3c2ccccc2/C(C3=O)=C/NCC(O)CO
(2)InChI: InChI=1/C18H16Cl2N2O3/c19-14-5-3-6-15(20)17(14)22-16-7-2-1-4-12(16)13(18(22)25)9-21-8-11(24)10-23/h1-7,9,11,21,23-24H,8,10H2/b13-9-
(4)Std. InChI: InChI=1S/C18H16Cl2N2O3/c19-14-5-3-6-15(20)17(14)22-16-7-2-1-4-12(16)13(18(22)25)9-21-8-11(24)10-23/h1-7,9,11,21,23-24H,8,10H2/b13-9-

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported > 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 100, 1995.

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