2-Oxazolidinone,4-[(4-nitrophenyl)methyl]-, (4S)- supplier

Name
(S)-4-(4-Nitrobenzyl)-2-oxazolidinone
EINECS
CAS No. 139264-55-4
Article Data5
CAS DataBase
Density 1.368g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀N₂O₄
Boiling Point 509.509 °C at 760 mmHg
Molecular Weight 222.2
Flash Point 261.942 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Oxazolidinone,4-[(4-nitrophenyl)methyl]-, (S)-;
PSA 84.15000
LogP 2.09770

2-Oxazolidinone,4-[(4-nitrophenyl)methyl]-, (4S)- Specification

The 2-Oxazolidinone,4-[(4-nitrophenyl)methyl]-, (4S)-, with CAS registry number 139264-55-4, has the systematic name of (4S)-4-(4-nitrobenzyl)-1,3-oxazolidin-2-one. Besides this, it is also called (S)-4-(4-Nitrobenzyl)-2-oxazolidinone. And the chemical formula of this chemical is C₁₀H₁₀N₂O₄.

Physical properties of 2-Oxazolidinone,4-[(4-nitrophenyl)methyl]-, (4S)-: (1)ACD/LogP: 0.02; (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): 162; (8)ACD/KOC (pH 7.4): 162; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 84.15 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 54.631 cm³; (15)Molar Volume: 162.433 cm³; (16)Polarizability: 21.657×10^-24cm³; (17)Surface Tension: 55.417 dyne/cm; (18)Density: 1.368 g/cm³; (19)Flash Point: 261.942 °C; (20)Enthalpy of Vaporization: 78.007 kJ/mol; (21)Boiling Point: 509.509 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)C[C@@H]2NC(=O)OC2
(2)InChI: InChI=1/C10H10N2O4/c13-10-11-8(6-16-10)5-7-1-3-9(4-2-7)12(14)15/h1-4,8H,5-6H2,(H,11,13)/t8-/m0/s1
(3)InChIKey: CCEJPIYBVGYGEM-QMMMGPOBBO
(4)Std. InChI: InChI=1S/C10H10N2O4/c13-10-11-8(6-16-10)5-7-1-3-9(4-2-7)12(14)15/h1-4,8H,5-6H2,(H,11,13)/t8-/m0/s1
(5)Std. InChIKey: CCEJPIYBVGYGEM-QMMMGPOBSA-N

Product Name

(S)-4-(4-Nitrobenzyl)-2-oxazolidinone

2-Oxazolidinone,4-[(4-nitrophenyl)methyl]-, (4S)- Specification

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