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Overview of CAS 50910-55-9

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4CH-018286
PharmaCompass
  • Chemistry
4CH-018286
Also known as: 50910-55-9, 2-amino-3,5-dibromo-benzaldehyde, 3,5-dibromoanthranilaldehyde, 3,5-dibromo-2-aminobenzaldehyde, Benzaldehyde, 2-amino-3,5-dibromo-, Mfcd00671100
Molecular Formula
C7H5Br2NO
Molecular Weight
278.931  g/mol
InChI Key
RCPAZWISSAVDEA-UHFFFAOYSA-N

1 2D Structure

4CH-018286

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-3,5-dibromobenzaldehyde
2.1.2 InChI
InChI=1S/C7H5Br2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H2
2.1.3 InChI Key
RCPAZWISSAVDEA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(C=C(C(=C1Br)N)C=O)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 50910-55-9

2. 2-amino-3,5-dibromo-benzaldehyde

3. 3,5-dibromoanthranilaldehyde

4. 3,5-dibromo-2-aminobenzaldehyde

5. Benzaldehyde, 2-amino-3,5-dibromo-

6. Mfcd00671100

7. Sbb063039

8. Einecs 256-841-0

9. Pubchem8245

10. Ac1lelso

11. Acmc-209kqx

12. Bromhexine Impurity B

13. Ksc272a2l

14. Schembl285148

15. Ctk1h2025

16. Zinc57067

17. Dtxsid70198943

18. Molport-002-462-115

19. Rcpazwissavdea-uhfffaoysa-n

20. Ks-00000l8f

21. Anw-31159

22. Ca0043

23. Stl450950

24. Akos015854696

25. Rp17615

26. Rtc-063588

27. 2-azanyl-3,5-bis(bromanyl)benzaldehyde

28. 2-amino-3,5-dibromobenzaldehyde, 97%

29. Ac-10733

30. Aj-09563

31. Ak-88683

32. An-17219

33. As-12042

34. Bc003324

35. Bp-12420

36. Cj-00437

37. Sc-04920

38. Zb001954

39. Ab0011165

40. Db-020382

41. Kb-282877

42. St2404099

43. Tc-063588

44. Tl8003379

45. 4ch-018286

46. Ambroxol Hydrochloride Ep Impurities E

47. Bg01571933

48. D2625

49. Ft-0611038

50. St50307760

51. M-1399

52. A828361

53. I01-0166

54. W-105925

55. Inchi=1/c7h5br2no/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3h,10h

2.3 Create Date
2005-07-07
3 Chemical and Physical Properties
Molecular Weight 278.931 g/mol
Molecular Formula C7H5Br2NO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass278.872 g/mol
Monoisotopic Mass276.874 g/mol
Topological Polar Surface Area43.1 A^2
Heavy Atom Count11
Formal Charge0
Complexity153
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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