| CAS Number | 1214377-83-9 |
| Catalog Number | AG01DYIK |
| Chemical Name | 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid |
| IUPAC Name | 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid |
| InChI | InChI=1S/C8H6ClFO3/c9-5-3-4(1-2-6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13) |
| InChI Key | SUFHYSIEHMZFOM-UHFFFAOYSA-N |
| MDL Number | MFCD13194228 |
| Molecular Formula | C8H6ClFO3 |
| Molecular Weight | 204.5828 |
| SMILES | OC(C1=CC(Cl)=C(F)C=C1)C(O)=O |
| Synonyms | 3-chloro-4-fluoromandelic acid,
1214377-83-9,
AKOS017560436,
2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.581g/mol |
| Monoisotopic Mass | 203.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number