| CAS Number | 938118-64-0 |
| Catalog Number | AG019SW7 |
| Chemical Name | 3-(3,5-Dichlorophenoxy)propanoic acid |
| IUPAC Name | 3-(3,5-dichlorophenoxy)propanoic acid |
| InChI | InChI=1S/C9H8Cl2O3/c10-6-3-7(11)5-8(4-6)14-2-1-9(12)13/h3-5H,1-2H2,(H,12,13) |
| InChI Key | KCXNBTVQFJREHK-UHFFFAOYSA-N |
| MDL Number | MFCD09704798 |
| Molecular Formula | C9H8Cl2O3 |
| Molecular Weight | 235.0640 |
| SMILES | OC(CCOC1=CC(Cl)=CC(Cl)=C1)=O |
| Synonyms | 3-(3,5-dichlorophenoxy)propanoic acid,
938118-64-0,
ZINC11955594,
AKOS008136953,
MCULE-7827737607,
NE44096,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.06g/mol |
| Monoisotopic Mass | 233.985g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number