CAS 588-96-5

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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 Formula	C₈H₉BrO
Molecular Weight	201.06 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	199.98368 g/mol
Monoisotopic Mass	199.98368 g/mol
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	87.3
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

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