| CAS Number | 1082401-01-1 |
| Catalog Number | AG01ABI9 |
| Chemical Name | 2-(2-Chloro-4-fluorophenoxy)-2-phenylacetic acid |
| IUPAC Name | 2-(2-chloro-4-fluorophenoxy)-2-phenylacetic acid |
| InChI | InChI=1S/C14H10ClFO3/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 | NFLNHAANTYEWTK-UHFFFAOYSA-N |
| MDL Number | MFCD11580100 |
| Molecular Formula | C14H10ClFO3 |
| Molecular Weight | 280.6788 |
| SMILES | OC(C(C1=CC=CC=C1)OC1=C(Cl)C=C(F)C=C1)=O |
| Synonyms | 2-(2-chloro-4-fluorophenoxy)-2-phenylacetic acid,
1082401-01-1,
AC1Q71UV,
AKOS008049480,
MCULE-8948469367,
NE32943,
EN300-71699,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.679g/mol |
| Monoisotopic Mass | 280.03g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number