CAS 35654-56-9

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Also known as: 35654-56-9, 4-chloro-6,7-dimethoxy-quinoline, 6,7-dimethoxy-4-chloroquinoline, 4-chloro-6,7-dimethoxy quinoline, Quinoline, 4-chloro-6,7-dimethoxy-, C11h10clno2

Molecular Formula

C₁₁H₁₀ClNO₂

Molecular Weight

223.65 g/mol

InChI Key

WRVHQEYBCDPZEU-UHFFFAOYSA-N

1 2D Structure

CAS 35654-56-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-6,7-dimethoxyquinoline

2.1.2 InChI

InChI=1S/C11H10ClNO2/c1-14-10-5-7-8(12)3-4-13-9(7)6-11(10)15-2/h3-6H,1-2H3

2.1.3 InChI Key

WRVHQEYBCDPZEU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC2=C(C=CN=C2C=C1OC)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 35654-56-9

2. 4-chloro-6,7-dimethoxy-quinoline

3. 6,7-dimethoxy-4-chloroquinoline

4. 4-chloro-6,7-dimethoxy Quinoline

5. Quinoline, 4-chloro-6,7-dimethoxy-

6. C11h10clno2

7. Mfcd07778437

8. Schembl359988

9. 4chloro-6,7-dimethoxy-quinoline

10. Dtxsid30332684

11. Act01952

12. Bcp26870

13. Cs-d1175

14. Zinc6483921

15. Bbl034961

16. Stl426130

17. Akos005188230

18. Ac-4380

19. Pb30954

20. Ds-10580

21. Sy005194

22. Db-006765

23. 4-chloro-6,7-dimethoxyquinoline, Aldrichcpr

24. A6221

25. Am20070049

26. Ft-0600676

27. 654c569

28. Q-102324

29. 6,7-dimethoxy-4-chloroquinoline Pound>>4-chloro-6,7-dimethoxy-quinoline

2.3 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₀ClNO₂
Molecular Weight	223.65 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	223.0400063 g/mol
Monoisotopic Mass	223.0400063 g/mol
Topological Polar Surface Area	31.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	215
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