Methyl 6-Fluoroindole-3-carboxylate - CAS 649550-97-0
Catalog: |
BB032598 |
Product Name: |
Methyl 6-Fluoroindole-3-carboxylate |
CAS: |
649550-97-0 |
Synonyms: |
6-fluoro-1H-indole-3-carboxylic acid methyl ester; methyl 6-fluoro-1H-indole-3-carboxylate |
IUPAC Name: | methyl 6-fluoro-1H-indole-3-carboxylate |
Description: | Methyl 6-Fluoroindole-3-carboxylate (CAS# 649550-97-0) is a useful research chemical. |
Molecular Weight: | 193.17 |
Molecular Formula: | C10H8FNO2 |
Canonical SMILES: | COC(=O)C1=CNC2=C1C=CC(=C2)F |
InChI: | InChI=1S/C10H8FNO2/c1-14-10(13)8-5-12-9-4-6(11)2-3-7(8)9/h2-5,12H,1H3 |
InChI Key: | AGSZPNLHIFZEIT-UHFFFAOYSA-N |
Boiling Point: | 335.3 °C at 760 mmHg |
Density: | 1.341 g/cm3 |
LogP: | 2.09360 |
Publication Number | Title | Priority Date |
AU-2014294866-A1 | Novel derivatives of indole and pyrrole, method for the production thereof and pharmaceutical compositions containing same | 20130723 |
CN-105408321-A | Novel derivatives of indole and pyrrole, method for the production thereof and pharmaceutical compositions containing same | 20130723 |
EP-3027602-A1 | Novel derivatives of indole and pyrrole, method for the production thereof and pharmaceutical compositions containing same | 20130723 |
KR-20160034384-A | Novel derivatives of indole and pyrrole, method for the production thereof and pharmaceutical compositions containing same | 20130723 |
RU-2693404-C2 | Novel indole and pyrrole compounds, a method for production thereof and pharmaceutical compositions containing them | 20130723 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.05390666 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.05390666 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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