CAS 619-42-1

Chemistry, 1 End Use API, 15 Related Intermediates

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1 Intermediates

1 Intermediates

Also known as: 619-42-1, Benzoic acid, 4-bromo-, methyl ester, Methyl p-bromobenzoate, 4-bromobenzoic acid methyl ester, P-bromobenzoic acid, methyl ester, Benzoic acid, p-bromo-, methyl ester

Molecular Formula

C₈H₇BrO₂

Molecular Weight

215.04 g/mol

InChI Key

CZNGTXVOZOWWKM-UHFFFAOYSA-N

FDA UNII

UB1YSJ5XAR

1 2D Structure

CAS 619-42-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 4-bromobenzoate

2.1.2 InChI

InChI=1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3

2.1.3 InChI Key

CZNGTXVOZOWWKM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)C1=CC=C(C=C1)Br

2.2 Other Identifiers

2.2.1 UNII

UB1YSJ5XAR

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 619-42-1

2. Benzoic Acid, 4-bromo-, Methyl Ester

3. Methyl P-bromobenzoate

4. 4-bromobenzoic Acid Methyl Ester

5. P-bromobenzoic Acid, Methyl Ester

6. Benzoic Acid, P-bromo-, Methyl Ester

7. Ub1ysj5xar

8. P-bromobenzoic Acid Methyl Ester

9. 4-bromo-benzoic Acid Methyl Ester

10. Nsc-9392

11. Mfcd00013531

12. Unii-ub1ysj5xar

13. Nsc 9392

14. Einecs 210-596-6

15. Methyl-4-bromobenzoate

16. Methyl P-bromo Benzoate

17. Methyl 4-bromo-benzoate

18. Maybridge3_003726

19. Methyl-4- Bromobenzoate,

20. Schembl7623

21. Methyl 4-bromobenzoate, 99%

22. 4-bromobenzoicacid Methyl Ester

23. F3095-4305

24. Dtxsid7060702

25. Zinc55169

26. Nsc9392

27. 4-bromo Benzoic Acid Methyl Ester

28. 4-bromobenzoic Acid, Methyl Ester

29. Hms1441j08

30. Act01175

31. 4-methoxycarbonylphenyl Bromide

32. Akos002264647

33. Ccg-252688

34. Cs-w004846

35. Gs-3045

36. 4-methoxycarbonyl-1-bromobenzene

37. Idi1_015113

38. Ac-19470

39. Sy001702

40. 1-bromo-4-(methoxycarbonyl)benzene

41. 4-bromo-phenyl Carboxylic Acid Methyl Ester

42. Am20060697

43. B0556

44. Ft-0617866

45. 4-bromobenzoic Acid Methyl Ester [mi]

46. 19m421

47. A833495

48. Ae-848/01025045

49. W-105074

50. Q27290993

51. Z19682625

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₇BrO₂
Molecular Weight	215.04 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	213.96294 g/mol
Monoisotopic Mass	213.96294 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	139
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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Methyl 4-bromobenzoate

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CAS Number

619-42-1

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Hunan Huateng Pharmaceutical Co., Ltd. is a research-based manufacturer and supplier of combinatorial bui...

Hunan Huateng Pharmaceutical Co., Ltd. is a research-based manufacturer and supplier of combinatorial building blocks, organics and fine chemicals, with 5000m2 laboratory and over 100 experienced chemists. Huateng is dedicated to bring high quality and cost effective chemical products and services to our clients. Our versatile chemical synthesis expertise and manufacturing capability prepare us to produce a variety of known, novel or even hard-to-find chemicals from kg to ton scale.

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