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Overview of CAS 127264-14-6

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4CH-016898
PharmaCompass
4CH-016898
Also known as: 5-(2-bromoethyl)-2,3-dihydrobenzofuran, 127264-14-6, 5-(2-bromoethyl)-2,3-dihydrobenzo[b]furan, 5-(2-bromo-ethyl)-2,3-dihydro-benzofuran, Sbb054960, 2,3-dihydro-5-(2-bromoethyl)benzofuran
Molecular Formula
C10H11BrO
Molecular Weight
227.101  g/mol
InChI Key
JRKZQRRYNCMSCB-UHFFFAOYSA-N

1 2D Structure

4CH-016898

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-(2-bromoethyl)-2,3-dihydro-1-benzofuran
2.1.2 InChI
InChI=1S/C10H11BrO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7H,3-6H2
2.1.3 InChI Key
JRKZQRRYNCMSCB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1COC2=C1C=C(C=C2)CCBr
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 5-(2-bromoethyl)-2,3-dihydrobenzofuran

2. 127264-14-6

3. 5-(2-bromoethyl)-2,3-dihydrobenzo[b]furan

4. 5-(2-bromo-ethyl)-2,3-dihydro-benzofuran

5. Sbb054960

6. 2,3-dihydro-5-(2-bromoethyl)benzofuran

7. Benzofuran, 5-(2-bromoethyl)-2,3-dihydro-

8. Pubchem6953

9. Acmc-1bzdy

10. 5-(2-bromoethyl)coumaran

11. Ksc174k0d

12. Schembl1317917

13. Jsp001718

14. Ctk0h4501

15. Ks-00000fts

16. Dtxsid10618599

17. Jrkzqrryncmscb-uhfffaoysa-n

18. Molport-001-761-188

19. 5-(2-bromoethyl) Dihydrobenzofuran

20. Cs-m0163

21. Anw-44824

22. Bbl030678

23. Cb-630

24. Cb0123

25. Mfcd06797641

26. Stl373178

27. Zinc12953895

28. Akos005146233

29. Ac-1164

30. An-6907

31. Mcule-1872408566

32. Rp27697

33. Rtc-010116

34. 5-(2-bromoethyl)-2,3dihydrobenzofuran

35. 5-(2-bromethyl)-2,3-dihydrobenzofuran

36. Aj-63132

37. Ak-25344

38. As-15732

39. Bc003209

40. Bc215397

41. Cj-14244

42. Kb-72995

43. Q483

44. Sc-00686

45. 5-bromoethyl-2,3-dihydrobenzofuran

46. Ab0017614

47. Ab1004894

48. Db-008998

49. St2405991

50. Tc-010116

51. Tl8006723

52. 4ch-016898

53. B4066

54. Bg00606706

55. Ft-0647971

56. En300-91515

57. 5-(2-aminoethylthiomethyl)furfuryldimethylamine

58. M-1878

59. 264b146

60. 5-(2-bromoethyl)-2,3-dihydrobenzo[2,3-b]furan

61. A805674

62. 5-(2-bromoethyl)-2,3-dihydrobenzo-[2,3-b]furan

63. 5-(2-bromoethyl)-2,3-dihydrobenzo[2,3-b ]furan

64. Q-200518

65. 2,3-dihydro-5-(2-bromoethyl)benzofuran; 5-(2-bromoethyl)-2,3-dihydrobenzo[2,3-

66. A]furan; 5-(2-bromoethyl)-2,3-dihydrobenzofuran

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 227.101 g/mol
Molecular Formula C10H11BrO
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass225.999 g/mol
Monoisotopic Mass225.999 g/mol
Topological Polar Surface Area9.2 A^2
Heavy Atom Count12
Formal Charge0
Complexity149
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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