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CAS 4964-71-0 manufacturers and suppliers on PharmaCompass

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  • Chemistry
4XH
Also known as: 4964-71-0, 5-bromo-quinoline, Quinoline, 5-bromo-, Mfcd00234481, 5-bromooquinoline, 5-bromo quinoline
Molecular Formula
C9H6BrN
Molecular Weight
208.05  g/mol
InChI Key
CHODTZCXWXCALP-UHFFFAOYSA-N

1 2D Structure

4XH

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-bromoquinoline
2.1.2 InChI
InChI=1S/C9H6BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H
2.1.3 InChI Key
CHODTZCXWXCALP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=CC=N2)C(=C1)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4964-71-0

2. 5-bromo-quinoline

3. Quinoline, 5-bromo-

4. Mfcd00234481

5. 5-bromooquinoline

6. 5-bromo Quinoline

7. 5-bromoquinolline

8. 5-bromoquinoline, 97%

9. Schembl428159

10. Dtxsid10355790

11. Zinc331139

12. Act08239

13. Bbl020682

14. Stk893372

15. Akos001476966

16. Ab05240

17. Ac-1259

18. Cs-w002559

19. Ps-6094

20. Sy001017

21. Db-006997

22. Am20061831

23. B3078

24. Ft-0600550

25. A24756

26. 964b710

27. Ac-907/25004860

28. W-202876

29. Q27455212

30. 4xh

2.3 Create Date
2005-07-08
3 Chemical and Physical Properties
Molecular Weight 208.05 g/mol
Molecular Formula C9H6BrN
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass206.96836 g/mol
Monoisotopic Mass206.96836 g/mol
Topological Polar Surface Area12.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
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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