CAS 2973-80-0

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CHEMISTRY

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16 Related Intermediates

Chemistry

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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

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 Formula	C₇H₅BrO₂
Molecular Weight	201.02 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	199.94729 g/mol
Monoisotopic Mass	199.94729 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	127
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