CAS 3147-55-5

Chemistry

Chemistry

Also known as: 3,5-dibromo-2-hydroxybenzoic acid, 3147-55-5, Benzoic acid, 3,5-dibromo-2-hydroxy-, 2-hydroxy-3,5-dibromobenzoic acid, Salicylic acid, 3,5-dibromo-, T5jo5ua21h

Molecular Formula

C₇H₄Br₂O₃

Molecular Weight

295.91 g/mol

InChI Key

BFBZHSOXKROMBG-UHFFFAOYSA-N

FDA UNII

T5JO5UA21H

1 2D Structure

CAS 3147-55-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,5-dibromo-2-hydroxybenzoic acid

2.1.2 InChI

InChI=1S/C7H4Br2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)

2.1.3 InChI Key

BFBZHSOXKROMBG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C=C(C(=C1C(=O)O)O)Br)Br

2.2 Other Identifiers

2.2.1 UNII

T5JO5UA21H

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3,5-dbsa

2.3.2 Depositor-Supplied Synonyms

1. 3,5-dibromo-2-hydroxybenzoic Acid

2. 3147-55-5

3. Benzoic Acid, 3,5-dibromo-2-hydroxy-

4. 2-hydroxy-3,5-dibromobenzoic Acid

5. Salicylic Acid, 3,5-dibromo-

6. T5jo5ua21h

7. Chembl447448

8. Nsc-1062

9. Unii-t5jo5ua21h

10. Nsc1062

11. Nsc 1062

12. Einecs 221-570-9

13. Mfcd00002441

14. Ai3-22145

15. 3.5-dibromosalicylic Acid

16. Salicylic Acid,5-dibromo-

17. Oprea1_757968

18. Schembl330545

19. Dtxsid3062869

20. Zinc57140

21. 3,5-dibromo-2-hydroxybenzoicacid

22. 3,5-dibromosalicylic Acid, 97%

23. Dtxsid301184567

24. Amy13368

25. Benzoic Acid,5-dibromo-2-hydroxy-

26. Str07330

27. Bdbm50249792

28. Stk299341

29. Akos000121018

30. Cs-w013981

31. Ps-7157

32. 3,5-dibromosalicylic Acid [mi]

33. Ac-24839

34. Db-048048

35. Benzoic Acid,3,5-dibromo,2-hydroxy

36. D1087

37. Ft-0614521

38. Ag-670/32485043

39. Q223014

40. J-018440

41. 2,4-cyclohexadien-1-one, 2,4-dibromo-6-(dihydroxymethylene)-

42. 509092-66-4

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₄Br₂O₃
Molecular Weight	295.91 g/mol
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	295.85067 g/mol
Monoisotopic Mass	293.85272 g/mol
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	186
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

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