DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Virtual Booth

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 Listed Suppliers

1 API Suppliers
1 Listed Suppliers

FINISHED DOSAGE FORMULATIONS

3 FDF Dossiers, 3 Europe

3 FDF Dossiers
3 Europe

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 609-12-1, Ethyl 2-bromo-3-methylbutanoate, Ethyl 2-bromo-3-methylbutyrate, Butanoic acid, 2-bromo-3-methyl-, ethyl ester, Ethyl .alpha.-bromoisovalerate, Ethyl alpha-bromoisovalerate

Molecular Formula

C₇H₁₃BrO₂

Molecular Weight

209.08 g/mol

InChI Key

WNFUWONOILPKNX-UHFFFAOYSA-N

FDA UNII

4J9877130M

1 2D Structure

Ethyl 2-Bromoisovalerate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-bromo-3-methylbutanoate

2.1.2 InChI

InChI=1S/C7H13BrO2/c1-4-10-7(9)6(8)5(2)3/h5-6H,4H2,1-3H3

2.1.3 InChI Key

WNFUWONOILPKNX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C(C(C)C)Br

2.2 Other Identifiers

2.2.1 UNII

4J9877130M

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 609-12-1

2. Ethyl 2-bromo-3-methylbutanoate

3. Ethyl 2-bromo-3-methylbutyrate

4. Butanoic Acid, 2-bromo-3-methyl-, Ethyl Ester

5. Ethyl .alpha.-bromoisovalerate

6. Ethyl Alpha-bromoisovalerate

7. 2-bromoisovaleric Acid Ethyl Ester

8. Butyric Acid, 2-bromo-3-methyl-, Ethyl Ester

9. Nsc-8866

10. .alpha.-bromoisovaleric Acid Ethyl Ester

11. 2-bromo-3-methyl-butyric Acid Ethyl Ester

12. 4j9877130m

13. Ethyl 2-bromo Isovalerate

14. Alpha-bromoisovaleric Acid Ethyl Ester

15. Ethyl 2-bromo-3-methyl-butanoate

16. Unii-4j9877130m

17. Nsc 8866

18. Einecs 210-178-3

19. Ethyl A-bromoisovalerate

20. Ethyl-2-bromoisovalerate

21. Ai3-52374

22. 2-bromoisovalerianic Acid Ethyl Ester

23. Ethyl 2-bromoisopentanoate

24. Schembl89146

25. Ethyl2-bromo-3-methylbutanoate

26. Ethyl-2-bromo-3-methylbutyrate

27. 2-bromo Isovaleric Acid

28. Dtxsid20870681

29. Nsc8866

30. Ethyl-2-bromo-3-methyl-butanoate

31. Act02956

32. Mfcd00026855

33. Stl452992

34. Akos003625012

35. Akos016842351

36. Cs-w022654

37. Sb13077

38. 3-(2-chlorophenyl)-1h-indol-5-amine

39. 2-bromo-3-methylbutyric Acid Ethyl Ester

40. Bp-13193

41. Ethyl 2-bromoisovalerate [who-dd]

42. Db-053738

43. Ethyl 2-bromo-3-methylbutyrate, Aldrichcpr

44. Am20100480

45. E0969

46. Ft-0602541

47. En300-40930

48. 2-bromo-3-methylbutanoic Acid Ethyl Ester

49. W-105222

50. Q27259740

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₃BrO₂
Molecular Weight	209.08 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	208.00989 g/mol
Monoisotopic Mass	208.00989 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	112
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1