| CAS Number | 247230-94-0 |
| Catalog Number | AG01BAJ2(AGN-PC-0N8P2M) |
| Chemical Name | 1-(4-Fluoro-2-hydroxyphenyl)propan-1-one |
| IUPAC Name | 1-(4-fluoro-2-hydroxyphenyl)propan-1-one |
| InChI | InChI=1S/C9H9FO2/c1-2-8(11)7-4-3-6(10)5-9(7)12/h3-5,12H,2H2,1H3 |
| InChI Key | GFYDYQHYABTTSZ-UHFFFAOYSA-N |
| MDL Number | MFCD12196337 |
| Molecular Formula | C9H9FO2 |
| Molecular Weight | 168.1650 |
| SMILES | CCC(C1=C(O)C=C(F)C=C1)=O |
| Synonyms | 1-(4-Fluoro-2-hydroxyphenyl)propan-1-one,
247230-94-0,
4'-fluoro-2'-hydroxypropiophenonne,
SCHEMBL1479361,
GFYDYQHYABTTSZ-UHFFFAOYSA-N,
4'-Fluoro-2'-hydroxypropiophenone,
ZINC39168305,
AKOS033752149,
1-(4-fluoro-2-hydroxy-phenyl)-propan-1-one,
Z2050687989,
CID10678674,
1-(4-fluoro-2-hydroxy-phenyl)propan-1-one,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.167g/mol |
| Monoisotopic Mass | 168.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number