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21617-20-9

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Basic Information
CAS No.: 21617-20-9
Name: 6-Chloro-2,3-Dihydroquinolin-4(1H)-One
Article Data: 1
Molecular Structure:
Molecular Structure of 21617-20-9 (6-Chloro-2,3-Dihydroquinolin-4(1H)-One)
Formula: C9H8ClNO
Molecular Weight: 181.61892
Synonyms: 6-Chloro-2,3-Dihydroquinolin-4(1H)-One
EINECS: 604-604-1
Density: 1.29 g/cm3
Melting Point: 112 °C
Boiling Point: 345.028 °C at 760 mmHg
Flash Point: 162.467 °C
PSA: 29.10000
LogP: 2.47630
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Specification

The 6-Chloro-2,3-Dihydroquinolin-4(1H)-One, with CAS registry number 21617-20-9, has the systematic name of 6-chloro-2,3-dihydroquinolin-4(1H)-one. Besides this, it is also called 6-chloro-1,2,3-trihydroquinolin-4-one. And the chemical formula of this chemical is C9H8ClNO.

Physical properties of 6-Chloro-2,3-Dihydroquinolin-4(1H)-One: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 220; (6)ACD/BCF (pH 7.4): 220; (7)ACD/KOC (pH 5.5): 1652; (8)ACD/KOC (pH 7.4): 1653; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 46.801 cm3; (15)Molar Volume: 140.744 cm3; (16)Polarizability: 18.553×10-24cm3; (17)Surface Tension: 44.29 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 162.467 °C; (20)Enthalpy of Vaporization: 58.905 kJ/mol; (21)Boiling Point: 345.028 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2NCCC(=O)c2c1
(2)InChI: InChI=1/C9H8ClNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-2,5,11H,3-4H2
(3)InChIKey: WOYMBVUWQFWVSA-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H8ClNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-2,5,11H,3-4H2
(5)Std. InChIKey: WOYMBVUWQFWVSA-UHFFFAOYSA-N