CAS 667-27-6

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Chemistry

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Also known as: 667-27-6, Ethyl 2-bromo-2,2-difluoroacetate, Ethylbromodifluoroacetate, Bromodifluoroacetic acid ethyl ester, Acetic acid, bromodifluoro-, ethyl ester, Ethyl difluorobromoacetate

Molecular Formula

C₄H₅BrF₂O₂

Molecular Weight

202.98 g/mol

InChI Key

IRSJDVYTJUCXRV-UHFFFAOYSA-N

FDA UNII

2QFZ6JJ5YH

1 2D Structure

CAS 667-27-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-bromo-2,2-difluoroacetate

2.1.2 InChI

InChI=1S/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

2.1.3 InChI Key

IRSJDVYTJUCXRV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

2QFZ6JJ5YH

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 667-27-6

2. Ethyl 2-bromo-2,2-difluoroacetate

3. Ethylbromodifluoroacetate

4. Bromodifluoroacetic Acid Ethyl Ester

5. Acetic Acid, Bromodifluoro-, Ethyl Ester

6. Ethyl Difluorobromoacetate

7. 2qfz6jj5yh

8. Ethyl Bromo(difluoro)acetate

9. 2-bromo-2,2-difluoroacetic Acid Ethyl Ester

10. Einecs 211-567-0

11. Ethyl 2-bromo-2,2-difluoro-acetate

12. Mfcd00042069

13. Cbrf2cooch2ch3

14. Unii-2qfz6jj5yh

15. Ethyl 2-bromodifluoroacetate

16. Ethyl Bromo Difluoro Acetate

17. Schembl162440

18. Ethyl Bromodifluoroacetate, 98%

19. Irsjdvytjucxrv-uhfffaoysa-

20. Amy3632

21. Dtxsid40216845

22. Ethyl 2,2-difluoro-2-bromoacetate

23. Act02752

24. Bcp11101

25. Cs-d1417

26. Zinc1845846

27. Bromodifluoro Acetic Acid Ethyl Ester

28. Bromodifluoro-acetic Acid Ethyl Ester

29. Akos005258594

30. Bromo-difluoro-acetic Acid Ethyl Ester

31. Ethyl Bromo-alpha,alpha-difluoroacetate

32. Fs-4453

33. Bp-10583

34. 2-bromo2,2-difluoroacetic Acid Ethyl Ester

35. Db-029758

36. Aceticacid,2-bromo-2,2-difluoro-,ethylester

37. Ft-0623240

38. Acetic Acid, 2-bromo-2,2-difluoro-, Ethyl Ester

39. Q-102548

40. F0001-2628

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₄H₅BrF₂O₂
Molecular Weight	202.98 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	201.94410 g/mol
Monoisotopic Mass	201.94410 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	115
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