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| CAS No.: | 149524-45-8 |
|---|---|
| Name: | (S)-N-[3-(3-FLUORO-4-IODO-PHENYL)-2-OXO-OXAZOLIDIN-5-YLMETHYL]-ACETAMIDE |
| Molecular Structure: | |
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| Formula: | C12H12FIN2O3 |
| Molecular Weight: | 378.142 |
| Synonyms: | N-[[(5S)-3-(3-Fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;Acetamide,N-[[3-(3-fluoro-4-iodophenyl)-2-oxo-5-oxazolidinyl]methyl]-, (S)-;(S)-N-((3-(3-Fluoro-4-iodophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide; |
| Density: | 1.736 g/cm3 |
| Boiling Point: | 520.6 °C at 760 mmHg |
| Flash Point: | 268.6 °C |
| PSA: | 58.64000 |
| LogP: | 2.34750 |
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- Total:24 Page 1 of 1 1
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Specification
The Acetamide,N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-5-oxazolidinyl]methyl]-, with the CAS registry number 149524-45-8, is also known as (S)-N-((3-(3-Fluoro-4-iodophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide. This chemical's molecular formula is C12H12FIN2O3 and molecular weight is 378.14. What's more, its systematic name is N-{[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide.
Physical properties of Acetamide,N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-5-oxazolidinyl]methyl]- are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.65; (6)ACD/BCF (pH 7.4): 13.65; (7)ACD/KOC (pH 5.5): 226.04; (8)ACD/KOC (pH 7.4): 226.04; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 74.06 cm3; (15)Molar Volume: 217.8 cm3; (16)Polarizability: 29.36×10-24cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.736 g/cm3; (19)Flash Point: 268.6 °C; (20)Enthalpy of Vaporization: 79.36 kJ/mol; (21)Boiling Point: 520.6 °C at 760 mmHg; (22)Vapour Pressure: 6.14E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC[C@@H]2OC(=O)N(c1ccc(I)c(F)c1)C2)C
(2)InChI: InChI=1S/C12H12FIN2O3/c1-7(17)15-5-9-6-16(12(18)19-9)8-2-3-11(14)10(13)4-8/h2-4,9H,5-6H2,1H3,(H,15,17)/t9-/m0/s1
(3)InChIKey: YLWDRZMLYRIMNV-VIFPVBQESA-N