| CAS Number | 926224-45-5 |
| Catalog Number | AG019NHK |
| Chemical Name | 3-(3-chloro-4-fluorophenoxy)propanoic acid |
| IUPAC Name | 3-(3-chloro-4-fluorophenoxy)propanoic acid |
| InChI | InChI=1S/C9H8ClFO3/c10-7-5-6(1-2-8(7)11)14-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13) |
| InChI Key | WZTNYDNNJNYXMT-UHFFFAOYSA-N |
| MDL Number | MFCD09047918 |
| Molecular Formula | C9H8ClFO3 |
| Molecular Weight | 218.6094 |
| SMILES | OC(CCOC1=CC(Cl)=C(F)C=C1)=O |
| Synonyms | 3-(3-chloro-4-fluorophenoxy)propanoic acid,
EN300-40443,
926224-45-5,
AC1Q75PL,
SCHEMBL17711011,
CTK7J4477,
ZINC22142336,
AKOS000131928,
BBV-012729,
MCULE-9420332952,
|
| 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 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number