| CAS Number | 879339-86-3 |
| Catalog Number | AG01BASG(AGN-PC-0I9C08) |
| Chemical Name | 1-(3-Fluoro-2-hydroxyphenyl)-1-propanone
|
| IUPAC Name | 1-(3-fluoro-2-hydroxyphenyl)propan-1-one |
| InChI | InChI=1S/C9H9FO2/c1-2-8(11)6-4-3-5-7(10)9(6)12/h3-5,12H,2H2,1H3 |
| InChI Key | YLYSQFQRSDBFLG-UHFFFAOYSA-N |
| MDL Number | MFCD16301259 |
| Molecular Formula | C9H9FO2 |
| Molecular Weight | 168.1650 |
| SMILES | C(=O)(CC)c1c(O)c(F)ccc1 |
| Synonyms | 1-(3-Fluoro-2-hydroxyphenyl)propan-1-one,
879339-86-3,
1-(3-fluoro-2-hydroxy-phenyl)-propan-1-one,
SCHEMBL4598039,
YLYSQFQRSDBFLG-UHFFFAOYSA-N,
3'-Fluoro-2'-hydroxypropiophenone,
ZINC41168158,
1-(3-fluoro-2-hydroxyphenyl)-1-propanone,
1-(3-fluoro-2-hydroxyphenyl)-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