CAS 2689-39-6

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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

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 Formula	C₁₀H₁₁FN₂O₃
Molecular Weight	226.20 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	58.3
Heavy Atom Count	16
Formal Charge	0
Complexity	253
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1