| CAS Number | 1152843-96-3 |
| Catalog Number | AG01ELCZ |
| Chemical Name | 2-(4-bromo-2-fluorophenoxy)butanoic acid |
| IUPAC Name | 2-(4-bromo-2-fluorophenoxy)butanoic acid |
| InChI | InChI=1S/C10H10BrFO3/c1-2-8(10(13)14)15-9-4-3-6(11)5-7(9)12/h3-5,8H,2H2,1H3,(H,13,14) |
| InChI Key | YIBPGQNJYCTOOG-UHFFFAOYSA-N |
| MDL Number | MFCD12147993 |
| Molecular Formula | C10H10BrFO3 |
| Molecular Weight | 277.0870 |
| SMILES | CCC(C(O)=O)OC1=C(F)C=C(Br)C=C1 |
| Synonyms | SCHEMBL4817990,
AKOS009018230,
2-(4-bromo-2-fluorophenoxy)butanoic acid,
1152843-96-3,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.089g/mol |
| Monoisotopic Mass | 275.98g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number