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CAS 2398-37-0
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 Weight 187.03 g/mol
Molecular Formula C7H7BrO
XLogP33
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
Complexity85
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag France
Digital Content Digital Content
2398-37-0
Established in 1990, Inabata France, a part of the Inabata Group, used to export chemical and pharmaceuti...
Established in 1990, Inabata France, a part of the Inabata Group, used to export chemical and pharmaceutical products to Japan. In 2006, it acquired Pharmasynthèse. Today, Inabata-Pharmasynthèse offers a wide range of services, including sourcing, manufacturing, and the development of raw materials for the pharmaceutical and cosmetic industries. It supplies these ingredients to Europe, Japan, and other countries. With expertise in fine chemical production, Inabata-Pharmasynthèse conducts manufacturing operations, ranging from pilot to commercial quantities, at its GMP-certified facility at St. Pierre-Les-Elbeuf in France.
Flag India
Digital Content Digital Content
URL Supplier Web Content
2398-37-0
MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili ...
MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili Life Sciences (MLS) is a Contract Research Organization headquartered in Hyderabad(lab scale). API operations are supported by a manufacturing unit with cGMP facility designed in accordance with international standards with a built up space of around 4,35,600 sq ft located in Tirupati,AP,India(pilot scale).
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Flag India
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URL Supplier Web Content
2398-37-0
MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili ...
MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili Life Sciences (MLS) is a Contract Research Organization headquartered in Hyderabad(lab scale). API operations are supported by a manufacturing unit with cGMP facility designed in accordance with international standards with a built up space of around 4,35,600 sq ft located in Tirupati,AP,India(pilot scale).
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