(4S)-3-(2-Bromo-1-oxopropyl)-4-(phenylmethyl)-2-oxazolidinone (192864-91-8)

The (4S)-3-(2-Bromo-1-oxopropyl)-4-(phenylmethyl)-2-oxazolidinone, with CAS registry number 192864-91-8, has the systematic name of (4S)-4-benzyl-3-(2-bromopropanoyl)-1,3-oxazolidin-2-one. Besides this, it is also called (4S)-3-(2-Bromo-1-oxopropyl)-4-(phenylmethyl)-2-oxazolidinone. And the chemical formula of this chemical is C₁₃H₁₄BrNO₃.

Physical properties of (4S)-3-(2-Bromo-1-oxopropyl)-4-(phenylmethyl)-2-oxazolidinone: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 167; (8)ACD/KOC (pH 7.4): 167; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 69.833 cm³; (15)Molar Volume: 206.936 cm³; (16)Polarizability: 27.684×10^-24cm³; (17)Surface Tension: 53.779 dyne/cm; (18)Enthalpy of Vaporization: 68.534 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C)C(=O)N2C(=O)OC[C@@H]2Cc1ccccc1
(2)InChI: InChI=1/C13H14BrNO3/c1-9(14)12(16)15-11(8-18-13(15)17)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9?,11-/m0/s1
(3)InChIKey: WMEFKODGDLZACH-UMJHXOGRBO
(4)Std. InChI: InChI=1S/C13H14BrNO3/c1-9(14)12(16)15-11(8-18-13(15)17)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9?,11-/m0/s1
(5)Std. InChIKey: WMEFKODGDLZACH-UMJHXOGRSA-N