2882-19-1

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CHEMISTRY

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1 End Use APIs
17 Related Intermediates

Chemistry

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Also known as: 2882-19-1, Ethyl alpha-bromophenylacetate, Ethyl 2-bromo-2-phenylacetate, 2216-90-2, Benzeneacetic acid, alpha-bromo-, ethyl ester, Ethyl bromo(phenyl)acetate

Molecular Formula

C₁₀H₁₁BrO₂

Molecular Weight

243.10 g/mol

InChI Key

BKTKLDMYHTUESO-UHFFFAOYSA-N

FDA UNII

0N3C9JY41X

1 2D Structure

2882-19-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-bromo-2-phenylacetate

2.1.2 InChI

InChI=1S/C10H11BrO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3

2.1.3 InChI Key

BKTKLDMYHTUESO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C(C1=CC=CC=C1)Br

2.2 Other Identifiers

2.2.1 UNII

0N3C9JY41X

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2882-19-1

2. Ethyl Alpha-bromophenylacetate

3. Ethyl 2-bromo-2-phenylacetate

4. 2216-90-2

5. Benzeneacetic Acid, Alpha-bromo-, Ethyl Ester

6. Ethyl Bromo(phenyl)acetate

7. Benzeneacetic Acid, .alpha.-bromo-, Ethyl Ester

8. Alpha-bromobenzeneacetic Acid Ethyl Ester

9. Ethyl-alpha-bromophenyl Acetate

10. 0n3c9jy41x

11. Dtxsid8041951

12. Ethyl-.alpha.-bromophenyl Acetate

13. Nsc-38807

14. Acetic Acid, Bromophenyl-, Ethyl Ester

15. Ethyl 2-bromo-2-phenyl-acetate

16. Unii-0n3c9jy41x

17. Ethyl (1)-bromophenylacetate

18. Bromo-phenyl-acetic Acid Ethyl Ester

19. Einecs 218-701-7

20. Einecs 220-735-2

21. Ethyl Bromo-phenylacetate

22. Ethyl A-bromophenylacetate

23. Ethyl Bromo(phenyl)acetate #

24. Ethyl-alpha-bromophenylacetate

25. Schembl280401

26. Ethyl Alpha-bromobenzeneacetate

27. Ethyl Alpha -bromophenylacetate

28. Chembl3187649

29. Dtxcid6021951

30. Ethyl .alpha.-bromophenylacetate

31. Bromophenylacetic Acid Ethyl Ester

32. Nsc38807

33. Tox21_301444

34. Ethyl Alpha-bromophenylacetate, 97%

35. Mfcd00013536

36. Nsc 38807

37. Akos005068226

38. Benzeneacetic Acid,a-bromo-,ethyl Ester

39. Ncgc00255882-01

40. As-48708

41. Cas-2882-19-1

42. Ethyl Bromophenylacetate, (+/-)-

43. Db-047465

44. Db-370507

45. Ns00028559

46. Ns00083329

47. A18578

48. En300-160259

49. F52714

50. Ethyl (+/-)-.alpha.-bromobenzeneacetate

51. Ethyl (+/-)-.alpha.-bromophenylacetate

52. W-107027

53. Dl-.alpha.-bromophenylacetic Acid Ethyl Ester

54. Q27236983

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁BrO₂
Molecular Weight	243.10 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	26.3
Heavy Atom Count	13
Formal Charge	0
Complexity	164
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1