1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-bromoquinolin-8-ol

2.1.2 InChI

InChI=1S/C9H6BrNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H

2.1.3 InChI Key

WIIUANWSGSTCLG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=C(C=CC(=C2N=C1)O)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1198-14-7

2. 5-bromo-8-hydroxyquinoline

3. 8-quinolinol, 5-bromo-

4. 5-bromo-8-quinolinol

5. 5-bromo-8-oxyquinoline

6. 5-bromo-8-hydroxy Quinoline

7. Einecs 214-829-2

8. Nsc 74941

9. Brn 0129563

10. Nsc74941

11. Oprea1_227628

12. 5-21-03-00288 (beilstein Handbook Reference)

13. Schembl113482

14. Amy4308

15. Dtxsid20152590

16. Hms1595o03

17. Albb-024963

18. Mfcd00457011

19. Nsc-74941

20. Stk370867

21. Zinc11535743

22. Akos002286988

23. Ac-4822

24. Cs-w008422

25. Sb71615

26. Ds-13339

27. Ft-0656515

28. 198b147

29. Sr-01000289102

30. Sr-01000289102-1

31. W-108496

32. F3308-0252

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₆BrNO
Molecular Weight	224.05 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	222.96328 g/mol
Monoisotopic Mass	222.96328 g/mol
Topological Polar Surface Area	33.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165
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

CAS 1198-14-7

CAS 1198-14-7

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

2 Suppliers

Filters