CAS 1878-67-7

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CHEMISTRY

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BUILDING BLOCK

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1 Intermediates

1 Intermediates

Chemistry

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Also known as: 1878-67-7, 2-(3-bromophenyl)acetic acid, (3-bromophenyl)acetic acid, M-bromophenylacetic acid, Benzeneacetic acid, 3-bromo-, 3-bromo-phenylacetic acid

Molecular Formula

C₈H₇BrO₂

Molecular Weight

215.04 g/mol

InChI Key

KYNNBXCGXUOREX-UHFFFAOYSA-N

1 2D Structure

CAS 1878-67-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(3-bromophenyl)acetic acid

2.1.2 InChI

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

2.1.3 InChI Key

KYNNBXCGXUOREX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC(=C1)Br)CC(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1878-67-7

2. 2-(3-bromophenyl)acetic Acid

3. (3-bromophenyl)acetic Acid

4. M-bromophenylacetic Acid

5. Benzeneacetic Acid, 3-bromo-

6. 3-bromo-phenylacetic Acid

7. 3-bromophenyl Acetic Acid

8. Mfcd00004330

9. 3-bromophenylaceticacid

10. Einecs 217-522-1

11. M-bromo Phenylacetic Acid

12. 3-bromobenzeneacetic Acid

13. Meta-bromophenylacetic Acid

14. 3-bromo-phenyl Acetic Acid

15. 3-bromo-phenyl-acetic Acid

16. (3-bromo-phenyl)acetic Acid

17. (3-bromophenyl) Acetic Acid

18. Schembl78652

19. Chembl139276

20. 2-(3-bromophenyl) Acetic Acid

21. 3-bromophenylacetic Acid, 98%

22. Dtxsid0075152

23. Kynnbxcgxuorex-uhfffaoysa-

24. 2-(3-bromo-phenyl)-acetic Acid

25. Zinc156261

26. Act01192

27. Akos000142259

28. Ab00359

29. Ac-3364

30. Am62273

31. Cs-w004766

32. Ps-4772

33. Ac-16343

34. Sy004367

35. Db-022393

36. Ft-0615238

37. En300-59283

38. A21774

39. 878b677

40. Ae-562/43460499

41. W-107765

42. Q63409368

43. F0001-0674

44. Z1259041060

45. 2-(3-bromophenyl)acetic Acid;benzeneacetic Acid, 3-bromo-

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₈H₇BrO₂
Molecular Weight	215.04 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	213.96294 g/mol
Monoisotopic Mass	213.96294 g/mol
Topological Polar Surface Area	37.3 Å²
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