| CAS Number | 411233-40-4 |
| Catalog Number | AG01FGZJ(AGN-PC-03ODZ6) |
| Chemical Name | 2-fluoro-4-methanesulfonylbenzonitrile |
| IUPAC Name | 2-fluoro-4-methylsulfonylbenzonitrile |
| InChI | InChI=1S/C8H6FNO2S/c1-13(11,12)7-3-2-6(5-10)8(9)4-7/h2-4H,1H3 |
| InChI Key | UHNSRUQBYCAURK-UHFFFAOYSA-N |
| MDL Number | MFCD18378490 |
| Molecular Formula | C8H6FNO2S |
| Molecular Weight | 199.2021 |
| SMILES | N#Cc1ccc(cc1F)S(=O)(=O)C |
| Synonyms | 2-Fluoro-4-(methylsulfonyl)benzonitrile,
411233-40-4,
2-Fluoro-4-(methylsulphonyl)benzonitrile,
SCHEMBL2888292,
UHNSRUQBYCAURK-UHFFFAOYSA-N,
MFCD18378490,
2-Fluoro-4-methanesulfonylbenzonitrile,
ZINC143970412,
FCH1146138,
PC501371,
PS-11466,
Benzonitrile, 2-fluoro-4-(methylsulfonyl)-,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.199g/mol |
| Monoisotopic Mass | 199.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number