| CAS Number | 923113-40-0 |
| Catalog Number | AG01A7KW |
| Chemical Name | 2-(3,4-Difluorophenoxy)propanoic Acid |
| IUPAC Name | 2-(3,4-difluorophenoxy)propanoic acid |
| InChI | InChI=1S/C9H8F2O3/c1-5(9(12)13)14-6-2-3-7(10)8(11)4-6/h2-5H,1H3,(H,12,13) |
| InChI Key | KAIRTRFXVVCJNN-UHFFFAOYSA-N |
| MDL Number | MFCD08444523 |
| Molecular Formula | C9H8F2O3 |
| Molecular Weight | 202.1548 |
| SMILES | CC(C(O)=O)OC1=CC(F)=C(F)C=C1 |
| Synonyms | 2-(3,4-difluorophenoxy)propanoic acid,
923113-40-0,
AC1Q2BZM,
CTK7I5102,
AKOS000133837,
AKOS022480456,
MCULE-1162870251,
NE36207,
2-(3,4-Difluorophenoxy)-propanoic acid,
EN300-59037,
J-505725,
Z228583520,
|
| Complexity | 210 |
| 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 | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number