| CAS Number | 1096966-42-5 |
| Catalog Number | AG01ABG5 |
| Chemical Name | 2-[(3-Chloro-4-fluorophenyl)sulfanyl]-2-phenylacetic acid |
| IUPAC Name | 2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenylacetic acid |
| InChI | InChI=1S/C14H10ClFO2S/c15-11-8-10(6-7-12(11)16)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18) |
| InChI Key | VVDGDPJBOSNPSR-UHFFFAOYSA-N |
| MDL Number | MFCD12569696 |
| Molecular Formula | C14H10ClFO2S |
| Molecular Weight | 296.7444 |
| SMILES | OC(C(C1=CC=CC=C1)SC1=CC(Cl)=C(F)C=C1)=O |
| Synonyms | 2-[(3-chloro-4-fluorophenyl)sulfanyl]-2-phenylacetic acid,
1096966-42-5,
AC1Q71VH,
AKOS008105004,
MCULE-2799815352,
NE33510,
NCGC00338179-01,
EN300-71521,
AB01331358-02,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.74g/mol |
| Monoisotopic Mass | 296.007g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number