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Also known as: 2973-80-0, 2-bromo-5-hydroxy-benzaldehyde, 4-bromo-3-formylphenol, 2-bromo-5-(hydroxy)benzaldehyde, Benzaldehyde, 2-bromo-5-hydroxy-, 2-bromo-5-hydroxy benzaldehyde
Molecular Formula
C7H5BrO2
Molecular Weight
201.02  g/mol
InChI Key
SCRQAWQJSSKCFN-UHFFFAOYSA-N

CAS 2973-80-0
1 2D Structure

CAS 2973-80-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-bromo-5-hydroxybenzaldehyde
2.1.2 InChI
InChI=1S/C7H5BrO2/c8-7-2-1-6(10)3-5(7)4-9/h1-4,10H
2.1.3 InChI Key
SCRQAWQJSSKCFN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1O)C=O)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2973-80-0

2. 2-bromo-5-hydroxy-benzaldehyde

3. 4-bromo-3-formylphenol

4. 2-bromo-5-(hydroxy)benzaldehyde

5. Benzaldehyde, 2-bromo-5-hydroxy-

6. 2-bromo-5-hydroxy Benzaldehyde

7. 2-bromo-5-hydroxybenzadehyde

8. Mfcd03033065

9. Nsc680715

10. 6-brom-3-oxy-benzaldehyd

11. Dsstox_cid_29121

12. Dsstox_rid_83340

13. Dsstox_gsid_49265

14. 6-bromo-3-hydroxybenzaldehyde

15. Schembl289452

16. 5-hydroxy-2-bromobenzaldehyde

17. Chembl1982591

18. Dtxsid7049265

19. Benzaldehyde,2-bromo-5-hydroxy-

20. 6-bromo-meta Hydroxyl Benzaldehyde

21. Act00731

22. Bcp21669

23. Zinc1857510

24. Tox21_202820

25. Bbl104269

26. Cl8257

27. Stk014392

28. 2-bromo-5-hydroxybenzaldehyde, 95%

29. Akos000310017

30. Ab13035

31. Ac-2397

32. Cs-w007430

33. Nsc-680715

34. Ps-4859

35. Wt81700

36. Ncgc00260366-01

37. Ncgc00330296-01

38. Nci60_028767

39. Sy009332

40. Cas-2973-80-0

41. Db-006016

42. A5519

43. Am20060027

44. B3997

45. Ft-0602294

46. Ab01324915-02

47. J-508380

48. Q27451956

49. 1dw

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 201.02 g/mol
Molecular Formula C7H5BrO2
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass199.94729 g/mol
Monoisotopic Mass199.94729 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity127
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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