1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(2-bromoacetyl)-2-hydroxybenzamide

2.1.2 InChI

InChI=1S/C9H8BrNO3/c10-4-8(13)5-1-2-7(12)6(3-5)9(11)14/h1-3,12H,4H2,(H2,11,14)

2.1.3 InChI Key

VXWSXLSUWGZOHD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1C(=O)CBr)C(=O)N)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 73866-23-6

2. 5-(2-bromoacetyl)-2-hydroxybenzamide

3. 5-bromoacetyl Salicylamide

4. 5-(bromoacetyl)-2-hydroxybenzamide

5. 5-bromoacetyl-2-hydroxybenzamide

6. Benzamide, 5-(bromoacetyl)-2-hydroxy-

7. 5-bromoacetylsalicylamide

8. Brn 3286223

9. Einecs 277-626-8

10. 5-bromoacetylsalicyamide

11. 5-(bromoacetyl)-salicylamide

12. 4-10-00-03636 (beilstein Handbook Reference)

13. Schembl1809513

14. Amy8807

15. Dtxsid10995014

16. Zinc2569277

17. Mfcd00792456

18. Akos000121578

19. 5-bromoacetyl Salicylamide, Aldrichcpr

20. Cs-w014604

21. Ac-11001

22. As-11587

23. 5-(2-bromanylethanoyl)-2-oxidanyl-benzamide

24. 5-(2-bromo-1-oxoethyl)-2-hydroxybenzamide

25. Ft-0620155

26. H10684

27. A837946

28. W-104442

29. 5-(bromoacetyl)-2-hydroxybenzene-1-carboximidic Acid

30. F0001-1860

2.3 Create Date

2005-07-14

3 Chemical and Physical Properties

Molecular Formula	C₉H₈BrNO₃
Molecular Weight	258.07 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	256.96876 g/mol
Monoisotopic Mass	256.96876 g/mol
Topological Polar Surface Area	80.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	244
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 73866-23-6

CAS 73866-23-6

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