| CAS Number | 942485-40-7 |
| Catalog Number | AG01A6BT |
| Chemical Name | 3-(2,5-Difluorophenoxy)propanoic acid |
| IUPAC Name | 3-(2,5-difluorophenoxy)propanoic acid |
| InChI | InChI=1S/C9H8F2O3/c10-6-1-2-7(11)8(5-6)14-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13) |
| InChI Key | KWZZGDYPPDQVSB-UHFFFAOYSA-N |
| MDL Number | MFCD18305843 |
| Molecular Formula | C9H8F2O3 |
| Molecular Weight | 202.1548 |
| SMILES | OC(CCOC1=C(F)C=CC(F)=C1)=O |
| Synonyms | 3-(2,5-difluorophenoxy)propanoic acid,
942485-40-7,
Propanoic acid, 3-(2,5-difluorophenoxy)-,
SCHEMBL3267027,
ZINC70916486,
AKOS012572705,
MCULE-5559603756,
NE48895,
Z1815155442,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.157g/mol |
| Monoisotopic Mass | 202.044g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number