4-Bromoanisole

Synopsis, 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

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 Formula	C₇H₇BrO
Molecular Weight	187.03 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	185.96803 g/mol
Monoisotopic Mass	185.96803 g/mol
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	77
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