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2D Structure
Also known as: 112704-79-7, Benzoic acid, 4-bromo-2-fluoro-, Zqqsrvpoahyhel-uhfffaoysa-, Dtxsid60307209, Dtxcid90258336, 630-232-3
Molecular Formula
C7H4BrFO2
Molecular Weight
219.01  g/mol
InChI Key
ZQQSRVPOAHYHEL-UHFFFAOYSA-N
FDA UNII
CNX7NG4GG6

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-bromo-2-fluorobenzoic acid
2.1.2 InChI
InChI=1S/C7H4BrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
2.1.3 InChI Key
ZQQSRVPOAHYHEL-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
CNX7NG4GG6
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 112704-79-7

2. Benzoic Acid, 4-bromo-2-fluoro-

3. Zqqsrvpoahyhel-uhfffaoysa-

4. Dtxsid60307209

5. Dtxcid90258336

6. 630-232-3

7. Inchi=1/c7h4brfo2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3h,(h,10,11)

8. 2-fluoro-4-bromobenzoic Acid

9. 4-bromo-2-fluoro-benzoic Acid

10. Mfcd00143263

11. Nsc-190364

12. 4-bromo-2-fluorobenzoicacid

13. 2-fluoro-4-bromobenzoic Acid; Nsc 190364; 4-bromo-2-fluorobenzoic Acid;

14. Enzalutamide Impurity

15. Nsc190364

16. Cnx7ng4gg6

17. Enzalutamide Ep Impurity A

18. 2-fluro-4-bromobenzoic Acid

19. Schembl156346

20. Bcp13399

21. Cs-m3187

22. 4-bromo-2-fluorobenzoic Acid, 97%

23. 4-bromo-2-fluorobenzenecarboxylic Acid

24. Akos001274724

25. Ab03858

26. Ac-1417

27. Fb36908

28. Ps-7898

29. Ncgc00337423-01

30. Bp-11293

31. Sy001099

32. Db-023698

33. B1950

34. Ns00015811

35. En300-21728

36. Ab01330559-02

37. Z106938872

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 219.01 g/mol
Molecular Formula C7H4BrFO2
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area37.3
Heavy Atom Count11
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1