| CAS Number | 1461702-87-3 |
| Catalog Number | AG01FGZK(AGN-PC-3H4ALD) |
| Chemical Name | (2-fluoro-4-methanesulfonylphenyl)methanol |
| IUPAC Name | (2-fluoro-4-methylsulfonylphenyl)methanol |
| InChI | InChI=1S/C8H9FO3S/c1-13(11,12)7-3-2-6(5-10)8(9)4-7/h2-4,10H,5H2,1H3 |
| InChI Key | QBVCZJRSNNPWGG-UHFFFAOYSA-N |
| MDL Number | MFCD18633090 |
| Molecular Formula | C8H9FO3S |
| Molecular Weight | 204.2187 |
| SMILES | OCc1ccc(cc1F)S(=O)(=O)C |
| Synonyms | 2-Fluoro-4-(methylsulphonyl)benzyl alcohol,
1461702-87-3,
Benzenemethanol, 2-fluoro-4-(methylsulfonyl)-,
SCHEMBL16434128,
MFCD18633090,
ZINC157608057,
PS-11500,
(2-fluoro-4-methanesulfonylphenyl)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