| CAS Number | 1334146-83-6 |
| Catalog Number | AG01AI9H |
| Chemical Name | 2-[(4-Acetyl-3-fluorophenyl)sulfanyl]acetic acid |
| IUPAC Name | 2-(4-acetyl-3-fluorophenyl)sulfanylacetic acid |
| InChI | InChI=1S/C10H9FO3S/c1-6(12)8-3-2-7(4-9(8)11)15-5-10(13)14/h2-4H,5H2,1H3,(H,13,14) |
| InChI Key | PEPMALGUUYDTSS-UHFFFAOYSA-N |
| MDL Number | MFCD19686225 |
| Molecular Formula | C10H9FO3S |
| Molecular Weight | 228.2401 |
| SMILES | CC(C1=C(F)C=C(SCC(O)=O)C=C1)=O |
| Synonyms | 2-[(4-acetyl-3-fluorophenyl)sulfanyl]acetic acid,
1334146-83-6,
ZINC68591569,
AKOS033551098,
MCULE-7026381029,
NE48707,
EN300-77104,
Z1695922970,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.237g/mol |
| Monoisotopic Mass | 228.026g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number