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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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Shanghai fine pharma founded in 2014, is a professional enterprise with chemical reagents and fine chemic...
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Shanghai fine pharma founded in 2014, is a professional enterprise with chemical reagents and fine chemic...
Shanghai fine pharma founded in 2014, is a professional enterprise with chemical reagents and fine chemical products development, development and trade. The company has a sound research and development system, advanced technology and equipment, and has a strong ability of independent research and development and innovation. The company has a complete sales network and a comprehensive service system. All kinds of chemical products sold are widely used in pharmaceutical enterprises, scientific research institutions, tertiary institutions, medical institutions, inspection and quarantine, analytical and testing enterprises, etc.
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