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CAS No.: | 124467-36-3 |
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Name: | 2-CHLORO-7,8-DIHYDRO-6H-QUINOLIN-5-ONE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C9H8ClNO |
Molecular Weight: | 181.622 |
Synonyms: | 2-Chloro-7,8-dihydro-6H-quinolin-5-one;2-Chloro-7,8-dihydroquinolin-5(6H)-one; |
Density: | 1.316 g/cm3 |
Boiling Point: | 325.5 °C at 760 mmHg |
Flash Point: | 150.6 °C |
PSA: | 29.96000 |
LogP: | 2.25400 |
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The 5(6H)-Quinolinone, 2-chloro-7, 8-dihydro-, with the CAS registry number of 124467-36-3, is also known as 2-Chloro-7, 8-dihydro-6H-quinolin-5-one. This chemical's molecular formula is C9H8ClNO and molecular weight is 181.6189. What's more, its systematic name is called 2-Chloro-7, 8-dihydroquinolin-5(6H)-one.
Physical properties about 5(6H)-Quinolinone, 2-chloro-7, 8-dihydro- are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.18; (5)ACD/BCF (pH 5.5): 26.63; (6)ACD/BCF (pH 7.4): 26.63; (7)ACD/KOC (pH 5.5): 364.66; (8)ACD/KOC (pH 7.4): 364.66; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 46.15 cm3; (15)Molar Volume: 137.9 cm3; (16)Surface Tension: 52 dyne/cm; (17)Density: 1.316 g/cm3; (18)Flash Point: 150.6 °C; (19)Enthalpy of Vaporization: 56.76 kJ/mol; (20)Boiling Point: 325.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00023 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1ccc(Cl)nc1CCC2
(2) InChI: InChI=1/C9H8ClNO/c10-9-5-4-6-7(11-9)2-1-3-8(6)12/h4-5H,1-3H2
(3) InChIKey: GWDDFDLEOYOZLY-UHFFFAOYAY