| CAS Number | 2968-09-4 |
| Catalog Number | AG019PQZ(AGN-PC-0439KC) |
| Chemical Name | 1-[3-Fluoro-4-(methylsulfanyl)phenyl]ethan-1-one |
| IUPAC Name | 1-(3-fluoro-4-methylsulfanylphenyl)ethanone |
| InChI | InChI=1S/C9H9FOS/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3 |
| InChI Key | NNTGAWVZMJBMBV-UHFFFAOYSA-N |
| MDL Number | MFCD12779613 |
| Molecular Formula | C9H9FOS |
| Molecular Weight | 184.2306 |
| SMILES | CSC1=C(F)C=C(C(C)=O)C=C1 |
| Synonyms | 1-[3-fluoro-4-(methylsulfanyl)phenyl]ethan-1-one,
2968-09-4,
SCHEMBL6112852,
NNTGAWVZMJBMBV-UHFFFAOYSA-N,
ZINC38063737,
AKOS008143034,
MCULE-3795646067,
NE19257,
1-[3-Fluoro-4-(methylthio)phenyl]ethanone,
1-[3-fluoro-4-(methylthio)-phenyl]ethanone,
EN300-86037,
Z1259341137,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.228g/mol |
| Monoisotopic Mass | 184.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number