-
Name
2-OXAZOLIDINONE, 3-(3-FLUOROPHENYL)-5-[[(METHYLSULFONYL)OXY]METHYL]-, (5R)-
- EINECS
- CAS No. 380380-55-2
- Article Data2
- CAS DataBase
- Density 1.441 g/cm3
- Solubility
- Melting Point
- Formula C11H12FNO5S
- Boiling Point 459.6 °C at 760 mmHg
- Molecular Weight 289.284
- Flash Point 231.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Methanesulfonicacid [(5R)-3-(3-fluorophenyl)-2-oxooxazolidin-5-yl]methyl ester;2-oxazolidinone, 3-(3-fluorophenyl)-5-[[(methylsulfonyl)oxy]methyl]-, (5R)-;
- PSA 81.29000
- LogP 2.27290
(5R)-3-(3-Fluorophenyl)-5-[[(methylsulfonyl)oxy]methyl]-2-oxazolidinone Specification
This chemical is called (5R)-3-(3-Fluorophenyl)-5-[[(methylsulfonyl)oxy]methyl]-2-oxazolidinone, and its systematic name is 2-oxazolidinone, 3-(3-fluorophenyl)-5-[[(methylsulfonyl)oxy]methyl]-, (5R)-. With the molecular formula of C11H12FNO5S, its molecular weight is 289.28. In additiion, the CAS registry number of this chemical is 380380-55-2.
Other characteristics of the (5R)-3-(3-Fluorophenyl)-5-[[(methylsulfonyl)oxy]methyl]-2-oxazolidinone can be summarised as followings: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 6.1; (6)ACD/BCF (pH 7.4): 6.1; (7)ACD/KOC (pH 5.5): 126.96; (8)ACD/KOC (pH 7.4): 126.96; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 81.29 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 64.25 cm3; (15)Molar Volume: 200.6 cm3; (16)Polarizability: 25.47×10-24cm3; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.441 g/cm3; (19)Flash Point: 231.8 °C; (20)Enthalpy of Vaporization: 72.01 kJ/mol; (21)Boiling Point: 459.6 °C at 760 mmHg; (22)Vapour Pressure: 1.25E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CS(=O)(=O)OC[C@H]1CN(C(=O)O1)c2cccc(c2)F
(2)InChI: InChI=1/C11H12FNO5S/c1-19(15,16)17-7-10-6-13(11(14)18-10)9-4-2-3-8(12)5-9/h2-5,10H,6-7H2,1H3/t10-/m1/s1
(3)InChIKey: MSMCRHMUBYTUJP-SNVBAGLBBH
(4)Std. InChI: InChI=1S/C11H12FNO5S/c1-19(15,16)17-7-10-6-13(11(14)18-10)9-4-2-3-8(12)5-9/h2-5,10H,6-7H2,1H3/t10-/m1/s1
(5)Std. InChIKey: MSMCRHMUBYTUJP-SNVBAGLBSA-N
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