| CAS Number | 208777-19-9 |
| Catalog Number | AG00BHB1(AGN-PC-0WP1T6) |
| Chemical Name | Ethanone, 1-(2-fluoro-3-methoxyphenyl)- (9CI) |
| IUPAC Name | 1-(2-fluoro-3-methoxyphenyl)ethanone |
| InChI | InChI=1S/C9H9FO2/c1-6(11)7-4-3-5-8(12-2)9(7)10/h3-5H,1-2H3 |
| InChI Key | CYWINEAOQMFOBH-UHFFFAOYSA-N |
| MDL Number | MFCD13194330 |
| Molecular Formula | C9H9FO2 |
| Molecular Weight | 168.1650 |
| SMILES | FC1=C(C=CC=C1OC)C(C)=O |
| Synonyms | 208777-19-9,
1-(2-fluoro-3-methoxyphenyl)ethanone,
2'-fluoro-3'-methoxyacetophenone,
Ethanone, 1-(2-fluoro-3-methoxyphenyl)- (9CI),
SCHEMBL7787275,
CTK8H5553,
ZINC39072360,
AKOS017516237,
AS-37303,
1-(2-fluoro-3-methoxyphenyl)ethan-1-one,
DB-097450,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.058658g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.16g/mol |
| Monoisotopic Mass | 168.058658g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number