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14548-50-6

Basic Information
CAS No.: 14548-50-6
Name: 7-CHLORO-3,4-DIHYDRO-1H-QUINOLIN-2-ONE
Article Data: 13
Molecular Structure:
Molecular Structure of 14548-50-6 (7-CHLORO-3,4-DIHYDRO-1H-QUINOLIN-2-ONE)
Formula: C9H8ClNO
Molecular Weight: 181.62
Synonyms: Carbostyril,7-chloro-3,4-dihydro- (7CI,8CI);3,4-Dihydro-7-chloro-2(1H)-quinolinone;
Density: 1.29 g/cm3
Melting Point: 194-196 °C(Solv: ethanol (64-17-5))
Boiling Point: 345 °C at 760 mmHg
Flash Point: 162.5 °C
PSA: 29.10000
LogP: 2.36270
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Specification

This chemical is called 2(1H)-Quinolinone, 7-chloro-3,4-dihydro-, and its systematic name is 7-chloro-3,4-dihydroquinolin-2(1H)-one. With the molecular formula of C9H8ClNO, its molecular weight is 181.62. The CAS registry number of this chemical is 14548-50-6.

Other characteristics of the 2(1H)-Quinolinone, 7-chloro-3,4-dihydro- can be summarised as followings: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.29; (6)ACD/BCF (pH 7.4): 36.3; (7)ACD/KOC (pH 5.5): 455.15; (8)ACD/KOC (pH 7.4): 455.15; (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: 46.8 cm3; (15)Molar Volume: 140.7 cm3; (16)Polarizability: 18.55×10-24cm3; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 162.5 °C; (20)Enthalpy of Vaporization: 58.91 kJ/mol; (21)Boiling Point: 345 °C at 760 mmHg; (22)Vapour Pressure: 6.32E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Clc1ccc2CCC(=O)Nc2c1
2.InChI: InChI=1/C9H8ClNO/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1,3,5H,2,4H2,(H,11,12)
3.InChIKey: HBKUREOLTIMYPY-UHFFFAOYAN