CAS 2398-37-0

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Also known as: 2398-37-0, 1-bromo-3-methoxybenzene, M-bromoanisole, 3-methoxybromobenzene, M-bromomethoxybenzene, 3-bromo anisole

Molecular Formula

C₇H₇BrO

Molecular Weight

187.03 g/mol

InChI Key

PLDWAJLZAAHOGG-UHFFFAOYSA-N

FDA UNII

7ZO6TY38WY

1 2D Structure

CAS 2398-37-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-bromo-3-methoxybenzene

2.1.2 InChI

InChI=1S/C7H7BrO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3

2.1.3 InChI Key

PLDWAJLZAAHOGG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC(=CC=C1)Br

2.2 Other Identifiers

2.2.1 UNII

7ZO6TY38WY

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2398-37-0

2. 1-bromo-3-methoxybenzene

3. M-bromoanisole

4. 3-methoxybromobenzene

5. M-bromomethoxybenzene

6. 3-bromo Anisole

7. Benzene, 1-bromo-3-methoxy-

8. Anisole, M-bromo-

9. 3-methoxy-1-bromobenzene

10. Meta-bromoanisole

11. M-methoxybromobenzene

12. M-bromophenyl Methyl Ether

13. 3-bromoanisol

14. 1-bromo-3-methoxy-benzene

15. Mfcd00000081

16. Nsc 82293

17. 7zo6ty38wy

18. Nsc-82293

19. Meta Bromo Anisole

20. M-anisyl Bromide

21. 3-bromo Anisol

22. Bromoanisole(3-)

23. M-methoxyphenyl Bromide

24. 3-methoxyphenyl Bromide

25. 3-bromo-1-methoxybenzene

26. Unii-7zo6ty38wy

27. Meta Bromoanisole

28. 3 Bromo Anisole

29. 3-bromo-anisole

30. 3-bromo-anisol

31. Nsc82293

32. Einecs 219-264-5

33. 3-methoxy Bromobenzene

34. 3-methoxy-bromobenzene

35. 1-bromo-3-methoxy Benzene

36. 3-bromoanisole, >=98%

37. Dsstox_cid_24618

38. Dsstox_rid_80353

39. Dsstox_gsid_44618

40. 1-bromanyl-3-methoxy-benzene

41. Schembl156145

42. Chembl3182998

43. Dtxsid4044618

44. Schembl12015262

45. Zinc164414

46. Act04958

47. Str06107

48. 3-methoxybromobenzene M-bromoanisole

49. Tox21_302612

50. Akos000120527

51. Am86792

52. Cs-w016868

53. Ps-4128

54. Ncgc00256727-01

55. Ac-15078

56. Sy002244

57. Cas-2398-37-0

58. Db-030907

59. B0545

60. Ft-0628172

61. B-5680

62. B-5700

63. A817024

64. Q27269080

65. F0001-0820

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₇BrO
Molecular Weight	187.03 g/mol
XLogP3	3
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	85
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