| CAS Number | 1368552-34-4 |
| Catalog Number | AG01DVY3 |
| Chemical Name | 2-(3-chloro-4-fluorophenyl)propanoic acid |
| IUPAC Name | 2-(3-chloro-4-fluorophenyl)propanoic acid |
| InChI | InChI=1S/C9H8ClFO2/c1-5(9(12)13)6-2-3-8(11)7(10)4-6/h2-5H,1H3,(H,12,13) |
| InChI Key | WQCTVPRDXUKRPI-UHFFFAOYSA-N |
| MDL Number | MFCD21985769 |
| Molecular Formula | C9H8ClFO2 |
| Molecular Weight | 202.6100 |
| SMILES | CC(C1=CC(Cl)=C(F)C=C1)C(O)=O |
| Synonyms | 2-(3-chloro-4-fluorophenyl)propanoic acid,
1368552-34-4,
AKOS018361513,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.609g/mol |
| Monoisotopic Mass | 202.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number