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CAS 205448-66-4
Also known as: 205448-66-4, 6-quinolinecarboxylic acid, 4-chloro-7-methoxy-, methyl ester, Mfcd17016133, 4-chloro-7-methoxyquinoline-6-carboxylic acid methyl ester, Methyl4-chloro-7-methoxyquinoline-6-carboxylate, Methyl-4-chloro-7-methoxyquinoline-6-carboxylate
Molecular Formula
C12H10ClNO3
Molecular Weight
251.66  g/mol
InChI Key
DDDSGYZATMCUDW-UHFFFAOYSA-N

1 2D Structure

CAS 205448-66-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 4-chloro-7-methoxyquinoline-6-carboxylate
2.1.2 InChI
InChI=1S/C12H10ClNO3/c1-16-11-6-10-7(9(13)3-4-14-10)5-8(11)12(15)17-2/h3-6H,1-2H3
2.1.3 InChI Key
DDDSGYZATMCUDW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC2=NC=CC(=C2C=C1C(=O)OC)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 205448-66-4

2. 6-quinolinecarboxylic Acid, 4-chloro-7-methoxy-, Methyl Ester

3. Mfcd17016133

4. 4-chloro-7-methoxyquinoline-6-carboxylic Acid Methyl Ester

5. Methyl4-chloro-7-methoxyquinoline-6-carboxylate

6. Methyl-4-chloro-7-methoxyquinoline-6-carboxylate

7. Schembl1132184

8. Amy3703

9. Dtxsid60627292

10. 6-quinolinecarboxylic Acid,4-chloro-7-methoxy-,methyl Ester

11. Bcp14205

12. Zinc72193720

13. Akos015949991

14. Ds-5315

15. Pb13744

16. Ac-29698

17. Sy098567

18. Db-023397

19. Cs-0049041

20. Ft-0684619

21. 4-chloro-7-methoxy-6-methoxycarbonylquinoline

22. Methyl4-chloro-7-methoxyquinoline -6-carboxylate

23. W-206531

24. 4-chloro-7-methoxy-quinoline-6-carboxylic Acid Methyl Ester

25. 4-chloro-7-methoxy-6-quinolinecarboxylic Acid Methyl Ester

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 251.66 g/mol
Molecular Formula C12H10ClNO3
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass251.0349209 g/mol
Monoisotopic Mass251.0349209 g/mol
Topological Polar Surface Area48.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity287
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Jinan Xinke Pharmaceutical Science and Technology Co., Ltd. (XKPHARM) is an innovation driven company, headquartered in Jinan city, Shandong province, China and focus on the researching, manufacturing and marketing of high value added APIs and their intermediates. XKPHARM has set up a modern R&D center in High-Tech Industrial Development Zone of Jinan city, which covers over 1000 square meters and owns a professional team. Our R&D center specialized in research and development of cutting-edge information and technology, thus providing a platform for the company's sustainably developing market competition.
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Jinan Xinke Pharmaceutical Science and Technology Co., Ltd. (XKPHARM) is an innovation driven company, he...
Jinan Xinke Pharmaceutical Science and Technology Co., Ltd. (XKPHARM) is an innovation driven company, headquartered in Jinan city, Shandong province, China and focus on the researching, manufacturing and marketing of high value added APIs and their intermediates. XKPHARM has set up a modern R&D center in High-Tech Industrial Development Zone of Jinan city, which covers over 1000 square meters and owns a professional team. Our R&D center specialized in research and development of cutting-edge information and technology, thus providing a platform for the company's sustainably developing market competition.
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Jinan Xinke Pharmaceutical Science and Technology Co., Ltd. (XKPHARM) is an innovation driven company, he...
Jinan Xinke Pharmaceutical Science and Technology Co., Ltd. (XKPHARM) is an innovation driven company, headquartered in Jinan city, Shandong province, China and focus on the researching, manufacturing and marketing of high value added APIs and their intermediates. XKPHARM has set up a modern R&D center in High-Tech Industrial Development Zone of Jinan city, which covers over 1000 square meters and owns a professional team. Our R&D center specialized in research and development of cutting-edge information and technology, thus providing a platform for the company's sustainably developing market competition.
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Jinan Xinke Pharmaceutical Science and Technology Co., Ltd. (XKPHARM) is an innovation driven company, headquartered in Jinan city, Shandong province, China and focus on the researching, manufacturing and marketing of high value added APIs and their intermediates. XKPHARM has set up a modern R&D center in High-Tech Industrial Development Zone of Jinan city, which covers over 1000 square meters and owns a professional team. Our R&D center specialized in research and development of cutting-edge information and technology, thus providing a platform for the company's sustainably developing market competition.
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