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2D Structure
Also known as: 2-[4-(bromomethyl)phenyl]propionic acid, Refchem:456428, 627-148-4, 111128-12-2, 2-(4-(bromomethyl)phenyl)propanoic acid, 2-[4-(bromomethyl)phenyl]propanoic acid
Molecular Formula
C10H11BrO2
Molecular Weight
243.10  g/mol
InChI Key
QQXBRVQJMKBAOZ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[4-(bromomethyl)phenyl]propanoic acid
2.1.2 InChI
InChI=1S/C10H11BrO2/c1-7(10(12)13)9-4-2-8(6-11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)
2.1.3 InChI Key
QQXBRVQJMKBAOZ-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2-[4-(bromomethyl)phenyl]propionic Acid

2. Refchem:456428

3. 627-148-4

4. 111128-12-2

5. 2-(4-(bromomethyl)phenyl)propanoic Acid

6. 2-[4-(bromomethyl)phenyl]propanoic Acid

7. 2-(4-bromomethyl)phenylpropionic Acid

8. Mfcd02093445

9. 2-(4-bromomethyl-phenyl)-propionic Acid

10. Bmppa

11. 4-(bromomethyl)hydratropic Acid

12. 4-(bromomethyl)-alpha-methylbenzeneacetic Acid; 2-[4-(bromomethyl)phenyl]propanoic Acid; 2-[p-(bromomethyl)phenyl]propionic Acid

13. Loxoprofen Intermediate

14. Schembl346789

15. Dtxsid10370064

16. 4-(1-carboxyethyl)benzyl Bromide

17. Bbl103414

18. Sbb064013

19. Stl557224

20. 2-(4-bromomethylphenyl)propionic Acid

21. Akos015889848

22. Cs-w012755

23. Gs-3022

24. 2-(4-(bromomethyl)phenyl)propanoicacid

25. 2-(4-bromomethylphenyl)-proprionic Acid

26. Ac-30317

27. Db-040954

28. B2101

29. 2-[4-(bromomethyl)phenyl]propionic Acid, 96%

30. En300-157261

31. 128b122

32. F226630

33. 2-[4-(bromomethyl)phenyl]propionic Acid(discontinued,see C4x-148850)

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 243.10 g/mol
Molecular Formula C10H11BrO2
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area37.3
Heavy Atom Count13
Formal Charge0
Complexity174
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1