| CAS Number | 1506047-42-2 |
| Catalog Number | AG01B9NP |
| Chemical Name | 3-[(3-fluorophenyl)sulfanyl]-2-hydroxy-2-methylpropanoic acid |
| IUPAC Name | 3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid |
| InChI | InChI=1S/C10H11FO3S/c1-10(14,9(12)13)6-15-8-4-2-3-7(11)5-8/h2-5,14H,6H2,1H3,(H,12,13) |
| InChI Key | FXKDJQPJFWKUJT-UHFFFAOYSA-N |
| MDL Number | MFCD23825707 |
| Molecular Formula | C10H11FO3S |
| Molecular Weight | 230.2559 |
| SMILES | CC(C(O)=O)(CSC1=CC(F)=CC=C1)O |
| Synonyms | 3-[(3-fluorophenyl)sulfanyl]-2-hydroxy-2-methylpropanoic acid,
1506047-42-2,
AKOS018619155,
Z2037267144,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.253g/mol |
| Monoisotopic Mass | 230.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 82.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number