| CAS Number | 890097-94-6 |
| Catalog Number | AG01AAVC |
| Chemical Name | 2-(3,4-Difluorophenyl)-2-oxoacetic acid |
| IUPAC Name | 2-(3,4-difluorophenyl)-2-oxoacetic acid |
| InChI | InChI=1S/C8H4F2O3/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3H,(H,12,13) |
| InChI Key | PXHFUJJNVRHOSE-UHFFFAOYSA-N |
| MDL Number | MFCD07698680 |
| Molecular Formula | C8H4F2O3 |
| Molecular Weight | 186.1124 |
| SMILES | FC=1C=C(C=CC1F)C(C(=O)O)=O |
| Synonyms | 2-(3,4-difluorophenyl)-2-oxoacetic acid,
890097-94-6,
(3,4-Difluorophenyl)glyoxylic acid,
AC1Q71M0,
SCHEMBL3556449,
ZINC36893468,
AKOS009312823,
MCULE-4071702045,
NE51416,
EN300-69674,
Z1171979212,
|
| 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