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159706-87-3

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Basic Information
CAS No.: 159706-87-3
Name: (S)-3-(4-Fluorophenyl)-4-benzyl-2-morpholinone
Article Data: 6
Molecular Structure:
Molecular Structure of 159706-87-3 ((S)-3-(4-Fluorophenyl)-4-benzyl-2-morpholinone)
Formula: C17H16FNO2
Molecular Weight: 285.318
Synonyms: 2-Morpholinone,3-(4-fluorophenyl)-4-(phenylmethyl)-, (S)-;N-Benzyl-(3S)-3-(4-fluorophenyl)morpholin-2-one;
Density: 1.231 g/cm3
Boiling Point: 431.9 °C at 760 mmHg
Flash Point: 215 °C
PSA: 29.54000
LogP: 2.86370
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Specification

The 2-Morpholinone,3-(4-fluorophenyl)-4-(phenylmethyl)-, (3S)- is an organic compound with the formula C17H16FNO2. The systematic name of this chemical is (3S)-4-Benzyl-3-(4-fluorophenyl)morpholin-2-one. With the CAS registry number 159706-87-3, it is also named as (3S)-4-Benzyl-3-(4-fluorophenyl)morpholin-2-one. Besides, its molecular weight is 285.3128.

Physical properties about 2-Morpholinone,3-(4-fluorophenyl)-4-(phenylmethyl)-, (3S)- are: (1)ACD/LogP: 2.22; (2)ACD/LogD (pH 5.5): 2.2; (3)ACD/LogD (pH 7.4): 2.22; (4)ACD/BCF (pH 5.5): 27.27; (5)ACD/BCF (pH 7.4): 28.83; (6)ACD/KOC (pH 5.5): 365.03; (7)ACD/KOC (pH 7.4): 385.86; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.582; (12)Molar Refractivity: 77.35 cm3; (13)Molar Volume: 231.7 cm3; (14)Polarizability: 30.66×10-24 cm3; (15)Surface Tension: 46.5 dyne/cm; (16)Density: 1.231 g/cm3; (17)Flash Point: 215 °C; (18)Enthalpy of Vaporization: 68.76 kJ/mol; (19)Boiling Point: 431.9 °C at 760 mmHg; (20)Vapour Pressure: 1.16E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C17H16FNO2/c18-15-8-6-14(7-9-15)16-17(20)21-11-10-19(16)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m0/s1
(2)InChIKey: GSZAAEJBPFTBKG-INIZCTEOBC
(3)Std. InChI: InChI=1S/C17H16FNO2/c18-15-8-6-14(7-9-15)16-17(20)21-11-10-19(16)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m0/s1
(4)Std. InChIKey: GSZAAEJBPFTBKG-INIZCTEOSA-N