| CAS Number | 1565927-14-1 |
| Catalog Number | AG01BFZL |
| Chemical Name | 2-(4-chloro-5-fluoro-2-nitrophenyl)acetic acid |
| IUPAC Name | 2-(4-chloro-5-fluoro-2-nitrophenyl)acetic acid |
| InChI | InChI=1S/C8H5ClFNO4/c9-5-3-7(11(14)15)4(1-6(5)10)2-8(12)13/h1,3H,2H2,(H,12,13) |
| InChI Key | QSYPRQBMNKAZSN-UHFFFAOYSA-N |
| MDL Number | MFCD26912441 |
| Molecular Formula | C8H5ClFNO4 |
| Molecular Weight | 233.5810 |
| SMILES | OC(CC1=C([N+]([O-])=O)C=C(Cl)C(F)=C1)=O |
| Synonyms | 2-(4-chloro-5-fluoro-2-nitrophenyl)acetic acid,
1565927-14-1,
ZINC98209965,
NE17226,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.579g/mol |
| Monoisotopic Mass | 232.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number