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CAS 536760-29-9
Also known as: 536760-29-9, 3-chloro-5,6-dihydro-1-(4-nitrophenyl)-2(1h)-pyridinone, 5-chloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one, 2(1h)-pyridinone, 3-chloro-5,6-dihydro-1-(4-nitrophenyl)-, 2(1h)-pyridine,3-chloro-5,6-dihydro-1-(4-nitrophenyl), Apixaban related compound 2
Molecular Formula
C11H9ClN2O3
Molecular Weight
252.65  g/mol
InChI Key
DOUAPYNOGMHPFD-UHFFFAOYSA-N

1 2D Structure

CAS 536760-29-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-chloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one
2.1.2 InChI
InChI=1S/C11H9ClN2O3/c12-10-2-1-7-13(11(10)15)8-3-5-9(6-4-8)14(16)17/h2-6H,1,7H2
2.1.3 InChI Key
DOUAPYNOGMHPFD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(C(=O)C(=C1)Cl)C2=CC=C(C=C2)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 536760-29-9

2. 3-chloro-5,6-dihydro-1-(4-nitrophenyl)-2(1h)-pyridinone

3. 5-chloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one

4. 2(1h)-pyridinone, 3-chloro-5,6-dihydro-1-(4-nitrophenyl)-

5. 2(1h)-pyridine,3-chloro-5,6-dihydro-1-(4-nitrophenyl)

6. Apixaban Related Compound 2

7. Schembl8243895

8. Dtxsid90470632

9. Amy36801

10. Bcp11629

11. Cs-m0373

12. Mfcd18207128

13. Zinc38247346

14. Akos015951085

15. Fd10599

16. Ac-26841

17. Da-16944

18. Ds-16656

19. Ft-0758197

20. A850072

21. J-512260

22. 3-chloro-5, 6-dihydro-1-(4-nitrophenyl)-2(1h)-pyridinone

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 252.65 g/mol
Molecular Formula C11H9ClN2O3
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass252.0301698 g/mol
Monoisotopic Mass252.0301698 g/mol
Topological Polar Surface Area66.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag India
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URL Supplier Web Content
545445-44-1
Apixaban
CTX is one of the youngest and fastest-growing Indian API and Intermediate manufacturing companies doing ...
CTX is one of the youngest and fastest-growing Indian API and Intermediate manufacturing companies doing business in over 70 countries. In these five years, all my thoughts and actions have been to enhance the life of my organization by serving the pharmaceutical industry with complete dedication. CTX is accredited with US FDA, EU GMP, PMDA Japan and COFEPRIS Mexico cGMP. The ultimate business strategy of CTX Life Sciences is “ to be a partner in the global pharmaceutical and chemical industries and continue to be a reliable and consistent supplier of APIs and Intermediates.
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URL Supplier Web Content
503614-91-3
Apixaban
CTX is one of the youngest and fastest-growing Indian API and Intermediate manufacturing companies doing ...
CTX is one of the youngest and fastest-growing Indian API and Intermediate manufacturing companies doing business in over 70 countries. In these five years, all my thoughts and actions have been to enhance the life of my organization by serving the pharmaceutical industry with complete dedication. CTX is accredited with US FDA, EU GMP, PMDA Japan and COFEPRIS Mexico cGMP. The ultimate business strategy of CTX Life Sciences is “ to be a partner in the global pharmaceutical and chemical industries and continue to be a reliable and consistent supplier of APIs and Intermediates.
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