1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromo-1-(2-hydroxyphenyl)ethanone

2.1.2 InChI

InChI=1S/C8H7BrO2/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,10H,5H2

2.1.3 InChI Key

SGPKEYSZPHMVNI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2491-36-3

2. 2-bromo-1-(2-hydroxyphenyl)ethanone

3. 2-hydroxyphenacyl Bromide

4. Ethanone, 2-bromo-1-(2-hydroxyphenyl)-

5. 2-bromo-1-(2-hydroxy-phenyl)-ethanone

6. Brn 0637210

7. 2-bromo-1-(2-hydroxyphenyl)ethan-1-one

8. Ethanone,2-bromo-1-(2-hydroxyphenyl)-

9. Phenolphthaleindiphosphate

10. 4-08-00-00329 (beilstein Handbook Reference)

11. Schembl1701142

12. 2-bromo-2'-hydroxylacetophenone

13. Dtxsid90179618

14. Sgpkeyszphmvni-uhfffaoysa-n

15. Acetophenone, 2-bromo-2'-hydroxy-

16. Mfcd01727570

17. Akos008969343

18. 2-bromo-2'-hydroxyacetophenone, 97%

19. Ds-5052

20. Am20040011

21. Ft-0652594

22. En300-49229

23. F20960

24. A817545

25. J-015725

2.3 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₈H₇BrO₂
Molecular Weight	215.04 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	37.3
Heavy Atom Count	11
Formal Charge	0
Complexity	147
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 2491-36-3

CAS 2491-36-3

CHEMISTRY

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