| CAS Number | 1094294-16-2 |
| Catalog Number | AG01AD0F |
| Chemical Name | 2-(2,5-Difluorophenyl)-2-oxoacetic acid |
| IUPAC Name | 2-(2,5-difluorophenyl)-2-oxoacetic acid |
| InChI | InChI=1S/C8H4F2O3/c9-4-1-2-6(10)5(3-4)7(11)8(12)13/h1-3H,(H,12,13) |
| InChI Key | DEUVZBPLJXDMDX-UHFFFAOYSA-N |
| MDL Number | MFCD11179634 |
| Molecular Formula | C8H4F2O3 |
| Molecular Weight | 186.1124 |
| SMILES | OC(C(C1=C(F)C=CC(F)=C1)=O)=O |
| Synonyms | 2-(2,5-difluorophenyl)-2-oxoacetic acid,
1094294-16-2,
2,5-Difluorobenzoylformic acid,
ZINC36893455,
AKOS009312642,
MCULE-2294618327,
NE47364,
Z1816233786,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.114g/mol |
| Monoisotopic Mass | 186.013g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number