CAS 112704-79-7

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34 Related Intermediates

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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

CAS 112704-79-7

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 Formula	C₇H₄BrFO₂
Molecular Weight	219.01 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	37.3
Heavy Atom Count	11
Formal Charge	0
Complexity	163
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