| CAS Number | 1552688-63-7 |
| Catalog Number | AG01DVMX |
| Chemical Name | 3-(2-chloro-6-fluorophenoxy)propanoic acid |
| IUPAC Name | 3-(2-chloro-6-fluorophenoxy)propanoic acid |
| InChI | InChI=1S/C9H8ClFO3/c10-6-2-1-3-7(11)9(6)14-5-4-8(12)13/h1-3H,4-5H2,(H,12,13) |
| InChI Key | PLPOCQPLQSHUBI-UHFFFAOYSA-N |
| MDL Number | MFCD24362467 |
| Molecular Formula | C9H8ClFO3 |
| Molecular Weight | 218.6094 |
| SMILES | OC(CCOC1=C(Cl)C=CC=C1F)=O |
| Synonyms | 3-(2-chloro-6-fluorophenoxy)propanoic acid,
1552688-63-7,
AKOS021371326,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.608g/mol |
| Monoisotopic Mass | 218.015g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number