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Overview of 6-Fluoro-1H-Indole-4-Carboxylic Acid Methyl Ester

Client Email Product
4CH-012335
PharmaCompass
4CH-012335
Also known as: 1082040-43-4, 6-fluoro-1h-indole-4-carboxylic acid methyl ester, 6-fluoro indole-4-methylcarboxylate, Ak119746, Pubchem17737, Ctk8c6637
Molecular Formula
C10H8FNO2
Molecular Weight
193.177  g/mol
InChI Key
CKFPLBCOOZCPOR-UHFFFAOYSA-N

1 2D Structure

4CH-012335

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 6-fluoro-1H-indole-4-carboxylate
2.1.2 InChI
InChI=1S/C10H8FNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,1H3
2.1.3 InChI Key
CKFPLBCOOZCPOR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)C1=CC(=CC2=C1C=CN2)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1082040-43-4

2. 6-fluoro-1h-indole-4-carboxylic Acid Methyl Ester

3. 6-fluoro Indole-4-methylcarboxylate

4. Ak119746

5. Pubchem17737

6. Ctk8c6637

7. Dtxsid20676504

8. Molport-009-684-889

9. Ks-00000r2a

10. 1636aa

11. 1637aa

12. Mfcd11845444

13. Rw3728

14. Zinc43220634

15. Methyl 6-fluoro Indole-4-carboxylate

16. Akos015852318

17. Acn-040720

18. Ds-5737

19. Fch1154850

20. Pb29866

21. Qc-9275

22. Methyl6-fluoro-1h-indole-4-carboxylate

23. Da-19155

24. Kb-45379

25. Sc-61874

26. Sc-70338

27. Ab0069639

28. Aj-108531

29. Ax8245162

30. St2413482

31. Tc-063520

32. 4ch-012335

33. Ft-0750547

34. F19805

35. W-1285

36. 1h-indole-4-carboxylic Acid,6-fluoro-,methyl Ester

37. 1h-indole-4-carboxylic Acid, 6-fluoro-, Methyl Ester

2.3 Create Date
2010-08-06
3 Chemical and Physical Properties
Molecular Weight 193.177 g/mol
Molecular Formula C10H8FNO2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass193.054 g/mol
Monoisotopic Mass193.054 g/mol
Topological Polar Surface Area42.1 A^2
Heavy Atom Count14
Formal Charge0
Complexity234
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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