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Also known as: 444335-16-4, (5r)-3-(4-bromo-3-fluorophenyl)-5-hydroxymethyloxazolidin-2-one, (5r)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one, 2-oxazolidinone, 3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-, (5r)-, Tedizolid impurity 9, Mfcd08166353
Molecular Formula
C10H9BrFNO3
Molecular Weight
290.09  g/mol
InChI Key
UGBKYDASQNOIHP-SSDOTTSWSA-N

CAS 444335-16-4
1 2D Structure

CAS 444335-16-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(5R)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
2.1.2 InChI
InChI=1S/C10H9BrFNO3/c11-8-2-1-6(3-9(8)12)13-4-7(5-14)16-10(13)15/h1-3,7,14H,4-5H2/t7-/m1/s1
2.1.3 InChI Key
UGBKYDASQNOIHP-SSDOTTSWSA-N
2.1.4 Canonical SMILES
C1C(OC(=O)N1C2=CC(=C(C=C2)Br)F)CO
2.1.5 Isomeric SMILES
C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)Br)F)CO
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 444335-16-4

2. (5r)-3-(4-bromo-3-fluorophenyl)-5-hydroxymethyloxazolidin-2-one

3. (5r)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

4. 2-oxazolidinone, 3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-, (5r)-

5. Tedizolid Impurity 9

6. Mfcd08166353

7. Schembl412800

8. Amy9187

9. Dtxsid30653008

10. Bcp09831

11. Cs-m3231

12. Zinc26896135

13. Akos015917296

14. Ac-6410

15. Ds-16804

16. Db-002321

17. 335b164

18. (5r)-3-(4-bromo-3-fluorophenyl)-5-hydroxymethyloxazolidin-2-onea

19. (5r)3-(4-bromo-3-fluoro-phenyl)-5-hydroxymethyl Oxazolidin-2-one

20. (r)-3-(4-bromo-3-fluorophenyl)-5-(hydroxylmethyl)oxazolidin-2-one

2.3 Create Date
2009-05-29
3 Chemical and Physical Properties
Molecular Weight 290.09 g/mol
Molecular Formula C10H9BrFNO3
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass288.97498 g/mol
Monoisotopic Mass288.97498 g/mol
Topological Polar Surface Area49.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity279
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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