CAS 85259-19-4

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Chemistry

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Also known as: 85259-19-4, Methyl 2-bromo-2-(2-chlorophenyl)acetate, Methyl , A-bromo-2-chlorophenylacetate, Methyl alpha-bromo-2-chloro-phenylacetate, Methyl bromo(2-chlorophenyl)acetate

Molecular Formula

C₉H₈BrClO₂

Molecular Weight

263.51 g/mol

InChI Key

HMBUCZUZRQQJQD-UHFFFAOYSA-N

1 2D Structure

CAS 85259-19-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-bromo-2-(2-chlorophenyl)acetate

2.1.2 InChI

InChI=1S/C9H8BrClO2/c1-13-9(12)8(10)6-4-2-3-5-7(6)11/h2-5,8H,1H3

2.1.3 InChI Key

HMBUCZUZRQQJQD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)C(C1=CC=CC=C1Cl)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 85259-19-4

2. Methyl 2-bromo-2-(2-chlorophenyl)acetate

3. Methyl

4. A-bromo-2-chlorophenylacetate

5. Methyl Alpha-bromo-2-chloro-phenylacetate

6. Methyl Bromo(2-chlorophenyl)acetate

7. 2-bromo-2-(2-chlorophenyl)acetic Acid Methyl Ester

8. Mfcd08444353

9. Methyl A-bromo-2-chlorophenylacetate

10. Schembl661387

11. Schembl14009484

12. Dtxsid10444113

13. Methyl ?-bromo-2-chlorophenylacetate

14. Akos009099270

15. Ac-8159

16. Gs-4226

17. Methyl Alpha-bromo-o-chlorophenylacetate

18. Methyl Alpha -bromo-2-chlorophenylacetate

19. Sy011604

20. 2-chloro-alpha-methoxycarbonylbenzyl Bromide

21. Db-076309

22. Am20061111

23. Ft-0649279

24. Ft-0654298

25. M2175

26. Bromo-2-chlorophenyl Acetic Acid Methyl Ester

27. En300-25399

28. Bromo-(2-chlorophenyl)-acetic Acid Methyl Ester

29. 259m194

30. A863633

31. Alpha-bromo-2-chlorophenylacetic Acid Methyl Ester

32. Alpha-bromo-(2-chlorophenyl)acetic Acid Methyl Ester

33. Alpha-bromo-2- Chlorophenyl Acetic Acid Methyl Ester

34. Alpha-bromo-2-chloro-phenylacetic Acid Methyl Ester

35. Alpha-bromo-2-chlorophenyl Acetic Acid Methyl Ester

36. J-522586

37. Alpha-bromo-2-(2-chlorophenyl)acetic Acid Methyl Ester

38. Alpha-bromo-2-chloro-phenylacetic Acid Methyl Ester;methyl Alpha-bromo-2-chlorophenylacetate

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₈BrClO₂
Molecular Weight	263.51 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	261.93962 g/mol
Monoisotopic Mass	261.93962 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	187
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