| CAS Number | 1342285-53-3 |
| Catalog Number | AG01BKEW |
| Chemical Name | 2-(3-bromo-4-fluorophenyl)-2-hydroxypropanoic acid |
| IUPAC Name | 2-(3-bromo-4-fluorophenyl)-2-hydroxypropanoic acid |
| InChI | InChI=1S/C9H8BrFO3/c1-9(14,8(12)13)5-2-3-7(11)6(10)4-5/h2-4,14H,1H3,(H,12,13) |
| InChI Key | WNUUXMYYDGHWIJ-UHFFFAOYSA-N |
| MDL Number | MFCD17246965 |
| Molecular Formula | C9H8BrFO3 |
| Molecular Weight | 263.0604 |
| SMILES | CC(C1=CC(Br)=C(F)C=C1)(C(O)=O)O |
| Synonyms | 2-(3-bromo-4-fluorophenyl)-2-hydroxypropanoic acid,
1342285-53-3,
AKOS012210935,
|
| Complexity | 236 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.062g/mol |
| Monoisotopic Mass | 261.964g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number