CAS 4965-33-7

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24 Related Intermediates

Chemistry

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Also known as: 4965-33-7, 7-chloroquinaldine, 2-methyl-7-chloroquinoline, Quinoline, 7-chloro-2-methyl-, 7-chloro-2-methyl-quinoline, Mfcd00075436

Molecular Formula

C₁₀H₈ClN

Molecular Weight

177.63 g/mol

InChI Key

WQZQFYRSYLXBGP-UHFFFAOYSA-N

1 2D Structure

CAS 4965-33-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-chloro-2-methylquinoline

2.1.2 InChI

InChI=1S/C10H8ClN/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h2-6H,1H3

2.1.3 InChI Key

WQZQFYRSYLXBGP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC2=C(C=C1)C=CC(=C2)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 4965-33-7

2. 7-chloroquinaldine

3. 2-methyl-7-chloroquinoline

4. Quinoline, 7-chloro-2-methyl-

5. 7-chloro-2-methyl-quinoline

6. Mfcd00075436

7. 7-chloro Quinaldine

8. 7-chloro2-methylquinoline

9. 7-chloroquinaldine, 99%

10. Dsstox_cid_31541

11. Dsstox_rid_97426

12. Dsstox_gsid_57752

13. 7-chloro-2-methylquinoline #

14. Schembl1459737

15. Chembl3561836

16. Dtxsid0057752

17. Wqzqfyrsylxbgp-uhfffaoysa-

18. Zinc156876

19. Act10318

20. Bcp24430

21. Tox21_113767

22. Akos009118597

23. Ac-7835

24. Cs-w020576

25. Ds-0535

26. Ps-8565

27. Sb67319

28. Ncgc00253640-01

29. Sy015399

30. Cas-4965-33-7

31. Am20070249

32. C1453

33. Ft-0621376

34. En300-27033

35. 65c337

36. A26317

37. O11651

38. Sr-01000944799

39. J-519196

40. Sr-01000944799-1

41. Z1245635857

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₈ClN
Molecular Weight	177.63 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	177.0345270 g/mol
Monoisotopic Mass	177.0345270 g/mol
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160
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