| CAS Number | 1579-73-3 |
| Catalog Number | AG019N63 |
| Chemical Name | 2-(2-Bromo-4-fluorophenoxy)propanoic acid |
| IUPAC Name | 2-(2-bromo-4-fluorophenoxy)propanoic acid |
| InChI | InChI=1S/C9H8BrFO3/c1-5(9(12)13)14-8-3-2-6(11)4-7(8)10/h2-5H,1H3,(H,12,13) |
| InChI Key | WXJIPVMABXYFLG-UHFFFAOYSA-N |
| MDL Number | MFCD09708001 |
| Molecular Formula | C9H8BrFO3 |
| Molecular Weight | 263.0604 |
| SMILES | CC(C(O)=O)OC1=C(Br)C=C(F)C=C1 |
| Synonyms | 2-(2-bromo-4-fluorophenoxy)propanoic acid,
1579-73-3,
AC1Q2BXW,
CTK7I5119,
AKOS000150947,
AKOS017270209,
MCULE-4225280155,
NE30416,
EN300-39493,
AB00996672-01,
Z65900346,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.062g/mol |
| Monoisotopic Mass | 261.964g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number