2-Acetyl-5-fluorothiophene - CAS 29669-44-1
Catalog: |
BB053380 |
Product Name: |
2-Acetyl-5-fluorothiophene |
CAS: |
29669-44-1 |
Synonyms: |
1-(5-Fluoro-2-thienyl)ethanone |
IUPAC Name: | 1-(5-fluorothiophen-2-yl)ethanone |
Molecular Weight: | 144.17 |
Molecular Formula: | C6H5FOS |
Canonical SMILES: | CC(=O)C1=CC=C(S1)F |
InChI: | InChI=1S/C6H5FOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3 |
InChI Key: | OLXPYTRVAAFVHG-UHFFFAOYSA-N |
Boiling Point: | 220.8±20.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Appearance: | Light Yellow Liquid |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.00451411 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.00451411 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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