| CAS Number | 938299-37-7 |
| Catalog Number | AG01ABHM |
| Chemical Name | 2-(2-Bromo-4-fluorophenoxy)-2-phenylacetic acid |
| IUPAC Name | 2-(2-bromo-4-fluorophenoxy)-2-phenylacetic acid |
| InChI | InChI=1S/C14H10BrFO3/c15-11-8-10(16)6-7-12(11)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18) |
| InChI Key | SDIOMWCKQMZSMJ-UHFFFAOYSA-N |
| MDL Number | MFCD09720825 |
| Molecular Formula | C14H10BrFO3 |
| Molecular Weight | 325.1298 |
| SMILES | OC(C(C1=CC=CC=C1)OC1=C(Br)C=C(F)C=C1)=O |
| Synonyms | 2-(2-bromo-4-fluorophenoxy)-2-phenylacetic acid,
938299-37-7,
AC1Q71UR,
AKOS000193297,
AKOS016888739,
MCULE-2876059433,
NE34017,
EN300-71650,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.133g/mol |
| Monoisotopic Mass | 323.98g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number