CAS No.63404-86-4,5-(Chloroacetyl)-8-(phenylmethoxy)-2(1H)-quinolinone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	63404-86-4
Name:	5-(Chloroacetyl)-8-(phenylmethoxy)-2(1H)-quinolinone
Article Data:	6

Formula:	C₁₈H₁₄ClNO₃
Molecular Weight:	327.767
Synonyms:	8-(Benzyloxy)-5-(chloroacetyl)quinolin-2(1H)-one;
EINECS:	453-270-0
Density:	1.312 g/cm³
Boiling Point:	602.5 °C at 760 mmHg
Flash Point:	318.2 °C

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Specification

The 2(1H)-Quinolinone, 5-(chloroacetyl)-8-(phenylmethoxy)-, with the CAS registry number 63404-86-4, is also known as 5-(Chloroacetyl)-8-(phenylmethoxy)-2(1H)-quinolinone. This chemical's molecular formula is C₁₈H₁₄ClNO₃ and molecular weight is 327.7617. What's more, its systematic name is 8-(Benzyloxy)-5-(chloroacetyl)quinolin-2(1H)-one.

Physical properties about 2(1H)-Quinolinone, 5-(chloroacetyl)-8-(phenylmethoxy)- are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 114.47; (6)ACD/BCF (pH 7.4): 114.35; (7)ACD/KOC (pH 5.5): 1035.66; (8)ACD/KOC (pH 7.4): 1034.62; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 87.55 cm³; (15)Molar Volume: 249.7 cm³; (16)Polarizability: 34.7×10^-24 cm³; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.312 g/cm³; (19)Flash Point: 318.2 °C; (20)Enthalpy of Vaporization: 89.63 kJ/mol; (21)Boiling Point: 602.5 °C at 760 mmHg; (22)Vapour Pressure: 1.81E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCC(=O)c3ccc(OCc1ccccc1)c2c3\C=C/C(=O)N2
(2) InChI: InChI=1/C18H14ClNO3/c19-10-15(21)13-6-8-16(18-14(13)7-9-17(22)20-18)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,22)
(3) InChIKey: AUFKEUKWVZCLQD-UHFFFAOYAK