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Also known as: 2689-39-6, 4-(2-fluoro-4-nitro-phenyl)-morpholine, Morpholine, 4-(2-fluoro-4-nitrophenyl)-, 3-fluoro-4-morpholinonitrobenzene, Mfcd03138381, Cambridge id 6614516
Molecular Formula
C10H11FN2O3
Molecular Weight
226.20  g/mol
InChI Key
ZEQCFSSBZPZEFJ-UHFFFAOYSA-N
FDA UNII
36R3KP66K8

CAS 2689-39-6
1 2D Structure

CAS 2689-39-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(2-fluoro-4-nitrophenyl)morpholine
2.1.2 InChI
InChI=1S/C10H11FN2O3/c11-9-7-8(13(14)15)1-2-10(9)12-3-5-16-6-4-12/h1-2,7H,3-6H2
2.1.3 InChI Key
ZEQCFSSBZPZEFJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])F
2.2 Other Identifiers
2.2.1 UNII
36R3KP66K8
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2689-39-6

2. 4-(2-fluoro-4-nitro-phenyl)-morpholine

3. Morpholine, 4-(2-fluoro-4-nitrophenyl)-

4. 3-fluoro-4-morpholinonitrobenzene

5. Mfcd03138381

6. Cambridge Id 6614516

7. Schembl210786

8. 3fluoro-4-morpholinonitrobenzene

9. Dtxsid60387723

10. Zeqcfssbzpzefj-uhfffaoysa-n

11. 36r3kp66k8

12. 3-fluoro-4-morpholinyl Nitrobenzene

13. 3-fluoro-4-morpholinyl-nitrobenzene

14. Stk351957

15. 1-fluoro-2-morpholino-5-nitrobenzene

16. 1-morpholino-2-fluoro-4-nitrobenzene

17. Akos005168040

18. Akos015922545

19. N-(2-fluoro-4-nitrophenyl)morpholine

20. Am86816

21. Sy005339

22. A818663

23. Sr-01000238859

24. Sr-01000238859-1

2.4 Create Date
2005-07-29
3 Chemical and Physical Properties
Molecular Weight 226.20 g/mol
Molecular Formula C10H11FN2O3
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area58.3
Heavy Atom Count16
Formal Charge0
Complexity253
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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