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Overview of CAS 654655-69-3

Client Email Product
4CH-010983
PharmaCompass
4CH-010983
Also known as: 654655-69-3, Quinoline, 6-bromo-2-methoxy-3-(phenylmethyl)-, Ak-84567, 3-benzyl-6-bromo-2-methoxy-quinoline, Schembl296886, Ctk1j6718
Molecular Formula
C17H14BrNO
Molecular Weight
328.209  g/mol
InChI Key
WMFHVNYOCKTDMX-UHFFFAOYSA-N

1 2D Structure

4CH-010983

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-benzyl-6-bromo-2-methoxyquinoline
2.1.2 InChI
InChI=1S/C17H14BrNO/c1-20-17-14(9-12-5-3-2-4-6-12)10-13-11-15(18)7-8-16(13)19-17/h2-8,10-11H,9H2,1H3
2.1.3 InChI Key
WMFHVNYOCKTDMX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C2C=C(C=CC2=N1)Br)CC3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 654655-69-3

2. Quinoline, 6-bromo-2-methoxy-3-(phenylmethyl)-

3. Ak-84567

4. 3-benzyl-6-bromo-2-methoxy-quinoline

5. Schembl296886

6. Ctk1j6718

7. Dtxsid90470319

8. Molport-023-331-641

9. Wmfhvnyocktdmx-uhfffaoysa-n

10. Ks-000002di

11. 2-methoxy-3-benzyl-6-bromoquinoline

12. Anw-63343

13. Mfcd22493488

14. Zinc38214180

15. Akos016003561

16. Acn-029055

17. Ds-2432

18. Mp-1966

19. Ac-28386

20. Aj-94660

21. Cj-19162

22. Sc-69582

23. Ab0033376

24. Ax8219455

25. Kb-234784

26. Tc-152088

27. 4ch-010983

28. St24022693

29. X6911

30. F9995-2406

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 328.209 g/mol
Molecular Formula C17H14BrNO
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass327.026 g/mol
Monoisotopic Mass327.026 g/mol
Topological Polar Surface Area22.1 A^2
Heavy Atom Count20
Formal Charge0
Complexity305
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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