CAS 68236-20-4

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Also known as: 68236-20-4, 2-chloro-7-methoxy-quinoline-3-carbaldehyde, 2-chloro-7-methoxy-3-quinolinecarbaldehyde, 2-chloro-7-methoxyquinoline-3-carboxaldehyde, 3-quinolinecarboxaldehyde, 2-chloro-7-methoxy-, Mfcd02227048

Molecular Formula

C₁₁H₈ClNO₂

Molecular Weight

221.64 g/mol

InChI Key

WRXZCLBKDXISQA-UHFFFAOYSA-N

1 2D Structure

CAS 68236-20-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-7-methoxyquinoline-3-carbaldehyde

2.1.2 InChI

InChI=1S/C11H8ClNO2/c1-15-9-3-2-7-4-8(6-14)11(12)13-10(7)5-9/h2-6H,1H3

2.1.3 InChI Key

WRXZCLBKDXISQA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC2=NC(=C(C=C2C=C1)C=O)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 68236-20-4

2. 2-chloro-7-methoxy-quinoline-3-carbaldehyde

3. 2-chloro-7-methoxy-3-quinolinecarbaldehyde

4. 2-chloro-7-methoxyquinoline-3-carboxaldehyde

5. 3-quinolinecarboxaldehyde, 2-chloro-7-methoxy-

6. Mfcd02227048

7. Quinolinecarbaldehyde

8. 2-chloro-7-methoxy-3-

9. 3-quinolinecarboxaldehyde,2-chloro-7-methoxy-

10. Oprea1_613254

11. Oprea1_772346

12. Schembl3210785

13. Chembl4530346

14. Dtxsid60366391

15. Albb-024799

16. Amy31387

17. Zinc2578394

18. Bbl012131

19. Stk803067

20. Akos000111366

21. Ab11595

22. Sy037456

23. 2-chloro-7-methoxyquinolin-3-carbaldehyde

24. Upcmld0enat0507-8928:001

25. Db-020901

26. Bb 0238502

27. Cs-0067897

28. Ft-0641171

29. 2-chloro-7-methoxy-quinoline-3-carbaldehyd E

30. En300-01132

31. 2-chloro-7-methoxyquinoline-2-carbaldehyde

32. A836059

33. Ag-664/25098046

34. 12r-0028

35. J-508993

2.3 Create Date

2005-07-14

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₈ClNO₂
Molecular Weight	221.64 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	221.0243562 g/mol
Monoisotopic Mass	221.0243562 g/mol
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	237
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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