| CAS Number | 7170-59-4 |
| Catalog Number | AG019Y2Y |
| Chemical Name | 4-(2,3-Dichlorophenoxy)butanoic acid |
| IUPAC Name | 4-(2,3-dichlorophenoxy)butanoic acid |
| InChI | InChI=1S/C10H10Cl2O3/c11-7-3-1-4-8(10(7)12)15-6-2-5-9(13)14/h1,3-4H,2,5-6H2,(H,13,14) |
| InChI Key | OUHXERSBJVBFGI-UHFFFAOYSA-N |
| MDL Number | MFCD09719248 |
| Molecular Formula | C10H10Cl2O3 |
| Molecular Weight | 249.0906 |
| SMILES | OC(CCCOC1=C(Cl)C(Cl)=CC=C1)=O |
| Synonyms | 4-(2,3-dichlorophenoxy)butanoic acid,
7170-59-4,
AC1Q75IX,
SCHEMBL4788971,
CTK7J3924,
ZINC11802460,
AKOS000174800,
MCULE-1028152129,
NE32420,
EN300-56865,
Z910842364,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.087g/mol |
| Monoisotopic Mass | 248.001g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number