| CAS Number | 80309-38-2 |
| Catalog Number | AG00G9CW(AGN-PC-00MSMH) |
| Chemical Name | 1-(2-Fluoro-5-methoxyphenyl)ethanone |
| IUPAC Name | 1-(2-fluoro-5-methoxyphenyl)ethanone |
| 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 |
| MDL Number | MFCD01074363 |
| Molecular Formula | C9H9FO2 |
| Molecular Weight | 168.1650 |
| SMILES | FC1=C(C=C(C=C1)OC)C(C)=O |
| Synonyms | 1-(2-FLUORO-5-METHOXYPHENYL)ETHANONE,
80309-38-2,
2'-Fluoro-5'-methoxyacetophenone,
1-(2-Fluoro-5-methoxy-phenyl)-ethanone,
1-(2-Fluoro-5-methoxyphenyl)ethan-1-one,
SCHEMBL5196960,
DTXSID20542154,
DWSVMRLQPHKYOW-UHFFFAOYSA-N,
ZINC2572378,
2518AC,
KM2027,
MFCD01074363,
AKOS016009255,
FCH1181407,
AJ-42000,
AS-42524,
SC-32600,
AX8225215,
FT-0727486,
C9H9FO2,
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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 | 168.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.167g/mol |
| Monoisotopic Mass | 168.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number