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CAS 588-96-5 manufacturers and suppliers on PharmaCompass

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  • Chemistry
CAS 588-96-5
Also known as: P-bromophenetole, 588-96-5, 1-bromo-4-ethoxybenzene, Benzene, 1-bromo-4-ethoxy-, 4-bromophenyl ethyl ether, P-bromoethoxybenzene
Molecular Formula
C8H9BrO
Molecular Weight
201.06  g/mol
InChI Key
WVUYYXUATWMVIT-UHFFFAOYSA-N
FDA UNII
T0L17BX1WR

1 2D Structure

CAS 588-96-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-bromo-4-ethoxybenzene
2.1.2 InChI
InChI=1S/C8H9BrO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
2.1.3 InChI Key
WVUYYXUATWMVIT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=CC=C(C=C1)Br
2.2 Other Identifiers
2.2.1 UNII
T0L17BX1WR
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. P-bromophenetole

2. 588-96-5

3. 1-bromo-4-ethoxybenzene

4. Benzene, 1-bromo-4-ethoxy-

5. 4-bromophenyl Ethyl Ether

6. P-bromoethoxybenzene

7. P-ethoxybromobenzene

8. 4-bromoethoxybenzene

9. Phenetole, P-bromo-

10. P-ethoxyphenyl Bromide

11. P-bromophenol Ethyl Ether

12. 1-bromo-4-ethoxy-benzene

13. 4-ethoxybromobenzene

14. 4-bromo Phenetole

15. Nsc 8053

16. Ethyl 4-bromophenyl Ether

17. Mfcd00000098

18. T0l17bx1wr

19. Chembl187292

20. Nsc-8053

21. 1-bromo-4-ethyloxybenzene

22. Unii-t0l17bx1wr

23. P-bromophenetol

24. 4-bromophenetol

25. Phenetyl Bromide

26. 4-bromo Phenetol

27. Nsc8053

28. Einecs 209-629-7

29. 4-ethoxybromo-benzene

30. 1-ethoxy-4-bromobenzene

31. P-bromophenyl Ethyl Ether

32. 4-bromophenetole, 98%

33. 4-bromophenetole (4bp)

34. 2-methylglutaricacid

35. Schembl18358

36. 4-ethoxyphenyl Bromide

37. Dtxsid6060426

38. Zinc407014

39. Act08100

40. Ac1306

41. Bdbm50150786

42. Akos000119004

43. Cs-w015571

44. Ds-14348

45. Sy001830

46. Bromophenol P-form Ethyl Ether [mi]

47. Db-028768

48. Am20060683

49. A832064

50. W-105361

51. Q27289511

52. F0001-1538

53. 5-(4-bromophenyl)sulfanyl-4-(chloromethyl)-1-methyl-3-phenyl-pyrazole

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 201.06 g/mol
Molecular Formula C8H9BrO
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass199.98368 g/mol
Monoisotopic Mass199.98368 g/mol
Topological Polar Surface Area9.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity87.3
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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