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
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