1-(2-Fluoro-5-methoxyphenyl)ethanone - CAS 80309-38-2
Catalog: |
BB056130 |
Product Name: |
1-(2-Fluoro-5-methoxyphenyl)ethanone |
CAS: |
80309-38-2 |
Synonyms: |
1-(2-FLUORO-5-METHOXYPHENYL)ETHANONE; 1-(2-Fluoro-5-methoxyphenyl)ethan-1-one; 2'-Fluoro-5'-methoxyacetophenone; 1-(2-Fluoro-5-methoxy-phenyl)-ethanone |
IUPAC Name: | 1-(2-fluoro-5-methoxyphenyl)ethanone |
Description: | 1-(2-Fluoro-5-methoxyphenyl)ethanone |
Molecular Weight: | 168.17 |
Molecular Formula: | C9H9FO2 |
Canonical SMILES: | CC(=O)C1=C(C=CC(=C1)OC)F |
InChI: | InChI=1S/C9H9FO2/c1-6(11)8-5-7(12-2)3-4-9(8)10/h3-5H,1-2H3 |
InChI Key: | DWSVMRLQPHKYOW-UHFFFAOYSA-N |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05865769 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05865769 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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