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139071-79-7

Basic Information
CAS No.: 139071-79-7
Name: Acetamide,N-[[(5S)-3-(3-fluorophenyl)-2-oxo-5-oxazolidinyl]methyl]-
Molecular Structure:
Molecular Structure of 139071-79-7 (Acetamide,N-[[(5S)-3-(3-fluorophenyl)-2-oxo-5-oxazolidinyl]methyl]-)
Formula: C12H13FN2O312H13FN2O3
Molecular Weight: 252.24
Synonyms: Acetamide,N-[[3-(3-fluorophenyl)-2-oxo-5-oxazolidinyl]methyl]-, (S)-;(S)-N-[[3-(3-Fluorophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide;N-[[(5S)-3-(3-fluorophenyl)-2-oxooxazolidin-5-yl]methyl]acetamide;
EINECS:
Density: 1.288g/cm3
Melting Point:
Boiling Point: 450.4 °C at 760 mmHg
Flash Point: 226.2 °C
Solubility:
Appearance: White crystalline powder
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 58.64000
LogP: 1.74290
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    (S)-N-[[3-(3-Fluorophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide

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Specification

The (S)-N-[[3-(3-Fluorophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide with its cas register number is 139071-79-7. It also can be called as Acetamide,N-[[(5S)-3-(3-fluorophenyl)-2-oxo-5-oxazolidinyl]methyl]- and the Systematic name about this chemical is N-{[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide. It belongs to the pharmacetical.

Physical properties about (S)-N-[[3-(3-Fluorophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide are: (1)ACD/LogP: 0.85 ; (2)ACD/LogD (pH 5.5): 0.85; (3)ACD/LogD (pH 7.4): 0.85; (4)ACD/BCF (pH 5.5): 2.61; (5)ACD/BCF (pH 7.4): 2.61; (6)ACD/KOC (pH 5.5): 69.22; (7)ACD/KOC (pH 7.4): 69.22; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 49.85Å2; (12)Index of Refraction: 1.537; (13)Molar Refractivity: 61.15 cm3; (14)Molar Volume: 195.7 cm3; (15)Polarizability: 24.24x10-24cm3; (16)Surface Tension: 44.3 dyne/cm; (17)Enthalpy of Vaporization: 70.93 kJ/mol; (18)Vapour Pressure: 2.64E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC[C@@H]2OC(=O)N(c1cccc(F)c1)C2)C
(2)InChI: InChI=1/C12H13FN2O3/c1-8(16)14-6-11-7-15(12(17)18-11)10-4-2-3-9(13)5-10/h2-5,11H,6-7H2,1H3,(H,14,16)/t11-/m0/s1
(3)InChIKey: RUKDAFXYNGLEBZ-NSHDSACABX
(4)Std. InChI: InChI=1S/C12H13FN2O3/c1-8(16)14-6-11-7-15(12(17)18-11)10-4-2-3-9(13)5-10/h2-5,11H,6-7H2,1H3,(H,14,16)/t11-/m0/s1
(5)Std. InChIKey: RUKDAFXYNGLEBZ-NSHDSACASA-N