Beijing Zhongshuo Pharmaceutical

CAS 2689-39-6

Chemistry, 1 End Use API, 19 Related Intermediates

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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

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CAS Number

168828-82-8

End Use API

Linezolid

About the Company

Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001....

Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001. It came from a subsidiary company of China National Pharmaceutical Industry Company affiliated to China National Pharmaceutical Group (CNPIC). BJ Zhongshuo runs a medicine R&D centre in Beijing Economic-Technological Development Area with over 20 experienced specialists and a batch of advanced equipment for experiment and detection. The centre deals with the R&D for innovated drugs and Generic drugs as well as the optimization and improvement on exiting products. The R&D centre is now able to deal with 10-15 new products per year.

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