Methyl 5-fluoro-1H-indole-6-carboxylate - CAS 1227268-61-2
Catalog: |
BB054140 |
Product Name: |
Methyl 5-fluoro-1H-indole-6-carboxylate |
CAS: |
1227268-61-2 |
Synonyms: |
5-Fluoro-indole-6-carboxylic acid methyl ester; methyl5-fluoro-1H-indole-6-carboxylate |
IUPAC Name: | methyl 5-fluoro-1H-indole-6-carboxylate |
Molecular Weight: | 193.17 |
Molecular Formula: | C10H8FNO2 |
Canonical SMILES: | COC(=O)C1=C(C=C2C=CNC2=C1)F |
InChI: | InChI=1S/C10H8FNO2/c1-14-10(13)7-5-9-6(2-3-12-9)4-8(7)11/h2-5,12H,1H3 |
InChI Key: | XGDODTXPAIMYNR-UHFFFAOYSA-N |
Boiling Point: | 347.3±27.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
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 |
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