4CH-012335

1 2D Structure

2D Structure

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=C2C=CNC2=CC(=C1)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. Mfcd11845444

4. 6-fluoro Indole-4-methylcarboxylate

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

6. Schembl20692462

7. Amy3368

8. Dtxsid20676504

9. Bcp16872

10. Zinc43220634

11. Akos015852318

12. Cs-w022879

13. Ds-5737

14. Pb29866

15. Ac-30113

16. Da-19155

17. Sy111605

18. Ft-0750547

2.3 Create Date

2010-08-06

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₈FNO₂
Molecular Weight	193.17 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	193.05390666 g/mol
Monoisotopic Mass	193.05390666 g/mol
Topological Polar Surface Area	42.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	234
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

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