| CAS Number | 1153836-03-3 |
| Catalog Number | AG019ZD8 |
| Chemical Name | 3-[(4-Fluorophenyl)sulfanyl]-2-methylpropanoic acid |
| IUPAC Name | 3-(4-fluorophenyl)sulfanyl-2-methylpropanoic acid |
| InChI | InChI=1S/C10H11FO2S/c1-7(10(12)13)6-14-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13) |
| InChI Key | IVJVOKXHGHSVSE-UHFFFAOYSA-N |
| MDL Number | MFCD12132671 |
| Molecular Formula | C10H11FO2S |
| Molecular Weight | 214.2565 |
| SMILES | CC(C(O)=O)CSC1=CC=C(F)C=C1 |
| Synonyms | 3-[(4-fluorophenyl)sulfanyl]-2-methylpropanoic acid,
1153836-03-3,
AKOS009567701,
MCULE-2133274606,
NE22506,
Z1405445842,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.254g/mol |
| Monoisotopic Mass | 214.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number