CAS 16732-70-0

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Also known as: 680-051-9, 16732-70-0, Ethyl 5-bromo-1h-indole-2-carboxylate, 5-bromoindole-2-carboxylic acid ethyl ester, 2-(ethoxycarbonyl)-5-bromo-indole, 1h-indole-2-carboxylic acid, 5-bromo-, ethyl ester

Molecular Formula

C₁₁H₁₀BrNO₂

Molecular Weight

268.11 g/mol

InChI Key

LWRLKENDQISGEU-UHFFFAOYSA-N

1 2D Structure

CAS 16732-70-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 5-bromo-1H-indole-2-carboxylate

2.1.2 InChI

InChI=1S/C11H10BrNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3

2.1.3 InChI Key

LWRLKENDQISGEU-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 680-051-9

2. 16732-70-0

3. Ethyl 5-bromo-1h-indole-2-carboxylate

4. 5-bromoindole-2-carboxylic Acid Ethyl Ester

5. 2-(ethoxycarbonyl)-5-bromo-indole

6. 1h-indole-2-carboxylic Acid, 5-bromo-, Ethyl Ester

7. Mfcd00022701

8. 5-bromo-1h-indole-2-carboxylic Acid Ethyl Ester

9. 5-bromoindole-2-carboxylicacidethylester

10. 5-bromo-2-carbethoxyindole

11. Nsc88620

12. Oprea1_577377

13. Schembl333895

14. 5-bromo-2-ethoxycarbonyl Indole

15. Dtxsid70293321

16. Ethyl-5-bromoindole-2-carboxylate

17. Bbl022365

18. Cl3433

19. Nsc-88620

20. Stk394986

21. Akos001476070

22. Ethyl5-bromo-1h-indole-2-carboxylate

23. Ab01325

24. Ac-3603

25. Cs-w002128

26. Fa-0732

27. Fb12536

28. Hy-w002128

29. 5-bromoindolecarboxylic Acid Ethyl Ester

30. Ncgc00341792-01

31. Ac-22704

32. Ethyl 5-bromoindole-2-carboxylate, 95%

33. Sy006381

34. 5-bromoindol-2-carboxylic Acid Ethyl Ester

35. Db-006989

36. E0698

37. 5-bromo-indole-2-carboxylic Acid Ethyl Ester

38. Ab01334319-02

39. En300-1212474

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₀BrNO₂
Molecular Weight	268.11 g/mol
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	42.1
Heavy Atom Count	15
Formal Charge	0
Complexity	247
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