| CAS Number | 1378573-53-5 |
| Catalog Number | AG01FF1K(AGN-PC-3H4A42) |
| Chemical Name | 2-Fluoro-6-methoxy-thioanisole |
| IUPAC Name | 1-fluoro-3-methoxy-2-methylsulfanylbenzene |
| InChI | InChI=1S/C8H9FOS/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H,1-2H3 |
| InChI Key | NLTVGNWZGZHEMC-UHFFFAOYSA-N |
| MDL Number | MFCD18904713 |
| Molecular Formula | C8H9FOS |
| Molecular Weight | 172.2199 |
| SMILES | c1ccc(c(c1OC)SC)F |
| Synonyms | 2-Fluoro-6-methoxy-thioanisole,
1378573-53-5,
SCHEMBL11667685,
DTXSID90742548,
ZINC95147705,
AKOS026671915,
1-Fluoro-3-methoxy-2-(methylsulfanyl)benzene,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.217g/mol |
| Monoisotopic Mass | 172.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number