| CAS Number | 1564471-90-4 |
| Catalog Number | AG01FGZG(AGN-PC-3H4ALB) |
| Chemical Name | (3-Fluoro-4-methanesulfonylphenyl)methanol |
| IUPAC Name | (3-fluoro-4-methylsulfonylphenyl)methanol |
| InChI | InChI=1S/C8H9FO3S/c1-13(11,12)8-3-2-6(5-10)4-7(8)9/h2-4,10H,5H2,1H3 |
| InChI Key | BYAGEYXOLPQUAU-UHFFFAOYSA-N |
| MDL Number | MFCD26051385 |
| Molecular Formula | C8H9FO3S |
| Molecular Weight | 204.2187 |
| SMILES | OCc1ccc(c(c1)F)S(=O)(=O)C |
| Synonyms | 3-Fluoro-4-(methylsulphonyl)benzyl alcohol,
1564471-90-4,
SCHEMBL1940032,
BYAGEYXOLPQUAU-UHFFFAOYSA-N,
MFCD26051385,
AKOS024211521,
ZINC117591988,
PS-11498,
(3-fluoro-4-methanesulfonylphenyl)methanol,
(3-Fluoro-4-methanesulfonyl-phenyl)-methanol,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.215g/mol |
| Monoisotopic Mass | 204.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number