Methyl 4-fluorothiophene-2-carboxylate - CAS 32431-75-7
Catalog: |
BB043550 |
Product Name: |
Methyl 4-fluorothiophene-2-carboxylate |
CAS: |
32431-75-7 |
Synonyms: |
2-Thiophenecarboxylic acid, 4-fluoro-, methyl ester; 4-Fluorothiophene-2-carboxylic acid methyl ester |
IUPAC Name: | Methyl 4-fluoro-2-thiophenecarboxylate |
Description: | Methyl 4-fluorothiophene-2-carboxylate (CAS# 32431-75-7 ) is a useful research chemical. |
Molecular Weight: | 160.17 |
Molecular Formula: | C6H5FO2S |
Canonical SMILES: | COC(=O)C1=CC(=CS1)F |
InChI: | InChI=1S/C6H5FO2S/c1-9-6(8)5-2-4(7)3-10-5/h2-3H,1H3 |
InChI Key: | XQDIKAOOGCLKQR-UHFFFAOYSA-N |
Boiling Point: | 213.1±25.0 °C (Predicted) |
Density: | 1.323±0.06 g/cm3 (Predicted) |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.99942873 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.99942873 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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