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Overview of CAS 461432-23-5

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4CH-021703
PharmaCompass
4CH-021703
Also known as: 461432-23-5, 4-bromo-1-chloro-2-(4-ethoxybenzyl)benzene, 4-(5-bromo-2-chlorobenzyl)phenyl ethyl ether, Benzene, 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]-, 5-bromo-2-chloro-4'-ethoxydiphenylmethane, Sbb054221
Molecular Formula
C15H14BrClO
Molecular Weight
325.63  g/mol
InChI Key
ZUNCHZBITMUSRD-UHFFFAOYSA-N

1 2D Structure

4CH-021703

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene
2.1.2 InChI
InChI=1S/C15H14BrClO/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(16)5-8-15(12)17/h3-8,10H,2,9H2,1H3
2.1.3 InChI Key
ZUNCHZBITMUSRD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)Br)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 461432-23-5

2. 4-bromo-1-chloro-2-(4-ethoxybenzyl)benzene

3. 4-(5-bromo-2-chlorobenzyl)phenyl Ethyl Ether

4. Benzene, 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]-

5. 5-bromo-2-chloro-4'-ethoxydiphenylmethane

6. Sbb054221

7. Ak-37459

8. 2-(4-ethoxybenzyl)-4-bromo-1-chlorobenzene

9. 4-bromo-1-chloro-2-(4-ethoxy-benzyl)-benzene

10. A1-00089

11. 432b235

12. Pubchem19265

13. C15h14brclo

14. Schembl38150

15. Dapagliflozin Intermediate Ii

16. Ben221

17. Ctk1d5537

18. Dtxsid60433931

19. Molport-008-266-773

20. Zunchzbitmusrd-uhfffaoysa-n

21. Amx10146

22. Cs-b0023

23. An-432

24. Anw-66595

25. Cb0132

26. Mfcd11044417

27. Zinc34781172

28. Akos015917373

29. Tra0072186

30. Ac-26384

31. Acm461432235

32. Aj-90143

33. Bc004430

34. Bc249412

35. Cj-18574

36. Ds-12747

37. Kb-41979

38. Or067745

39. Sc-48708

40. Sy025637

41. Ab0048855

42. Ax8107253

43. Rt-009235

44. 4ch-021703

45. Am20040524

46. Ft-0689551

47. Kb-3355479

48. Z6158

49. Z-3625

50. (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)methane

51. 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]-

52. 1-[(5-bromo-2-chlorophenyl)methyl]-4-ethoxybenzene

53. 4-bromo-1-chloro-2-(4-ethoxyphenyl)methyl-benzene

54. I14-9753

55. I14-9892

56. 5-bromo-2-chloro-4 Inverted Exclamation Mark -ethoxydiphenylmethane

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 325.63 g/mol
Molecular Formula C15H14BrClO
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass323.992 g/mol
Monoisotopic Mass323.992 g/mol
Topological Polar Surface Area9.2 A^2
Heavy Atom Count18
Formal Charge0
Complexity241
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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