| CAS Number | 1016502-68-3 |
| Catalog Number | AG01ABE2 |
| Chemical Name | 2-[(4-Fluorophenyl)sulfanyl]-2-phenylacetic acid |
| IUPAC Name | 2-(4-fluorophenyl)sulfanyl-2-phenylacetic acid |
| InChI | InChI=1S/C14H11FO2S/c15-11-6-8-12(9-7-11)18-13(14(16)17)10-4-2-1-3-5-10/h1-9,13H,(H,16,17) |
| InChI Key | XJOZUMXBUUGLBO-UHFFFAOYSA-N |
| MDL Number | MFCD09815042 |
| Molecular Formula | C14H11FO2S |
| Molecular Weight | 262.2993 |
| SMILES | OC(C(C1=CC=CC=C1)SC1=CC=C(F)C=C1)=O |
| Synonyms | 2-[(4-fluorophenyl)sulfanyl]-2-phenylacetic acid,
1016502-68-3,
AC1Q71VJ,
CTK7I4281,
AKOS000165285,
AKOS016874454,
MCULE-6506748356,
NE39729,
EN300-71350,
Z56279370,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.298g/mol |
| Monoisotopic Mass | 262.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number