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CAS No.: 20870-77-3
Name: 4-CHLORO-1,3-DIHYDRO-INDOL-2-ONE
Article Data: 25
Molecular Structure:
Molecular Structure of 20870-77-3 (4-CHLORO-1,3-DIHYDRO-INDOL-2-ONE)
Formula: C8H6ClNO
Molecular Weight: 167.595
Synonyms: 2-Indolinone,4-chloro- (8CI);Oxindole, 4-chloro- (6CI);4-Chloro-1,3-dihydroindol-2-one;4-Chloro-2-oxindole;4-Chloro-2-oxoindoline;4-Chlorooxindole;
Density: 1.362 g/cm3
Melting Point: 206-208°
Boiling Point: 340.3 °C at 760 mmHg
Flash Point: 159.6 °C
Hazard Symbols: IrritantXi
PSA: 29.10000
LogP: 1.97260
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    4-Chloro-1,3-dihydro-2H-indol-2-one

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    4-CHLORO-1,3-DIHYDRO-INDOL-2-ONE

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    20870-77-3

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  • 4-CHLORO-2-OXINDOLE

  • Casno:

    20870-77-3

    4-CHLORO-2-OXINDOLE

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Specification

The 4-Chloro-2-oxindole with cas registry number of 20870-77-3, belongs to the following product categories: (1)Halides; (2)Pyrroles & Indoles. It has the systematic name of 4-chloro-1,3-dihydro-2H-indol-2-one. And its IUPAC name is 4-chloro-1,3-dihydroindol-2-one. Its hazard class is irritant.

Physical properties about this chemical are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.03; (6)ACD/BCF (pH 7.4): 26.03; (7)ACD/KOC (pH 5.5): 358.75; (8)ACD/KOC (pH 7.4): 358.75; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 42.18 cm3; (15)Molar Volume: 123 cm3; (16)Polarizability: 16.72×10-24cm3; (17)Surface Tension: 47.5 dyne/cm; (18)Enthalpy of Vaporization: 58.39 kJ/mol; (19)Vapour Pressure: 8.66E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Clc1cccc2c1CC(=O)N2;
(2)InChI: InChI=1/C8H6ClNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-3H,4H2,(H,10,11);
(3)InChIKey: XNSPDJAXCBZCRV-UHFFFAOYAT;
(4)Std. InChI: InChI=1S/C8H6ClNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-3H,4H2,(H,10,11);
(5)Std. InChIKey: XNSPDJAXCBZCRV-UHFFFAOYSA-N