| CAS Number | 1016734-04-5 |
| Catalog Number | AG019WHO |
| Chemical Name | 2-(2,4-Difluorophenoxy)-3-methylbutanoic acid |
| IUPAC Name | 2-(2,4-difluorophenoxy)-3-methylbutanoic acid |
| InChI | InChI=1S/C11H12F2O3/c1-6(2)10(11(14)15)16-9-4-3-7(12)5-8(9)13/h3-6,10H,1-2H3,(H,14,15) |
| InChI Key | DTOPCFJHOIYCNF-UHFFFAOYSA-N |
| MDL Number | MFCD09816529 |
| Molecular Formula | C11H12F2O3 |
| Molecular Weight | 230.2080 |
| SMILES | CC(C(C(O)=O)OC1=C(F)C=C(F)C=C1)C |
| Synonyms | 2-(2,4-difluorophenoxy)-3-methylbutanoic acid,
1016734-04-5,
AC1Q1O8P,
CTK6A3840,
AKOS000164687,
AKOS016903049,
MCULE-5836711727,
NE49878,
EN300-52012,
Z744843846,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.211g/mol |
| Monoisotopic Mass | 230.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number