| CAS Number | 935543-62-7 |
| Catalog Number | AG00IHO0(AGN-PC-0WRA00) |
| Chemical Name | 7-Fluoro-2-methanesulfonyl-3,4-dihydro-1H-isoquinoline |
| IUPAC Name | 7-fluoro-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline |
| InChI | InChI=1S/C10H12FNO2S/c1-15(13,14)12-5-4-8-2-3-10(11)6-9(8)7-12/h2-3,6H,4-5,7H2,1H3 |
| InChI Key | ISRRCRUOGVHBQB-UHFFFAOYSA-N |
| MDL Number | MFCD20319660 |
| Molecular Formula | C10H12FNO2S |
| Molecular Weight | 229.2712 |
| SMILES | Fc1ccc2c(c1)CN(CC2)S(=O)(=O)C |
| Synonyms | 7-Fluoro-2-methanesulfonyl-3,4-dihydro-1H-isoquinoline,
935543-62-7,
SCHEMBL1265840,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.269g/mol |
| Monoisotopic Mass | 229.057g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number