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Chemistry

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Also known as: 1-bromo-4-methoxybenzene, 104-92-7, P-bromoanisole, Benzene, 1-bromo-4-methoxy-, 4-methoxybromobenzene, Anisyl bromide
Molecular Formula
C7H7BrO
Molecular Weight
187.03  g/mol
InChI Key
QJPJQTDYNZXKQF-UHFFFAOYSA-N
FDA UNII
U430F901J9

4-Bromoanisole
1 2D Structure

4-Bromoanisole

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-bromo-4-methoxybenzene
2.1.2 InChI
InChI=1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
2.1.3 InChI Key
QJPJQTDYNZXKQF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC=C(C=C1)Br
2.2 Other Identifiers
2.2.1 UNII
U430F901J9
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1-bromo-4-methoxybenzene

2. 104-92-7

3. P-bromoanisole

4. Benzene, 1-bromo-4-methoxy-

5. 4-methoxybromobenzene

6. Anisyl Bromide

7. P-anisyl Bromide

8. P-bromanisole

9. 4-methoxyphenyl Bromide

10. Anisole, P-bromo-

11. P-methoxybromobenzene

12. P-methoxyphenyl Bromide

13. 4-methoxy-1-bromobenzene

14. P-bromophenyl Methyl Ether

15. 4-bromoanisol

16. Para-bromoanisole

17. 4-bromo Anisole

18. 4-anisyl Bromide

19. 1-bromo-4-methoxy-benzene

20. Nsc 8042

21. P-bromomethoxybenzene

22. 4-bromomethoxybenzene

23. Nsc-8042

24. U430f901j9

25. 4-bromo-1-methoxybenzene

26. Einecs 203-252-1

27. 4bromoanisole

28. Monobromoanisole

29. P-bromoanisol

30. P-bromanisol

31. P-bromo Anisole

32. P-bromo-anisole

33. Ai3-01295

34. Parabromo-anisole

35. 4-bromo-anisole

36. Unii-u430f901j9

37. Mfcd00000097

38. 4-methoxy-bromobenzene

39. 4-bromoanisole (ba)

40. 1-methoxy-4-bromobenzene

41. 4-bromophenyl Methyl Ether

42. 1-bromo-4-methoxy Benzene

43. Ec 203-252-1

44. Schembl9301

45. 1-bromanyl-4-methoxy-benzene

46. 4-bromoanisole, >=99.0%

47. Dtxsid2059308

48. Chebi:47257

49. Nsc8042

50. Zinc404306

51. Act04984

52. Bcp24447

53. Str04213

54. Br1023

55. Stl453648

56. Akos000119001

57. Ps-5119

58. Am20020130

59. B0547

60. Bromophenol P-form Methyl Ether [mi]

61. Ft-0612055

62. Ft-0617854

63. A801100

64. Q-200445

65. Q4973725

66. F0001-0093

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 187.03 g/mol
Molecular Formula C7H7BrO
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass185.96803 g/mol
Monoisotopic Mass185.96803 g/mol
Topological Polar Surface Area9.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity77
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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05-Feb-2021
16-Oct-2024
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