| CAS Number | 1354707-64-4 |
| Catalog Number | AG01AG95 |
| Chemical Name | (E)-4-(2,4-Difluorophenyl)-4-oxobut-2-enoic acid |
| IUPAC Name | (E)-4-(2,4-difluorophenyl)-4-oxobut-2-enoic acid |
| InChI | InChI=1S/C10H6F2O3/c11-6-1-2-7(8(12)5-6)9(13)3-4-10(14)15/h1-5H,(H,14,15)/b4-3+ |
| InChI Key | GYTCEHNGUPAFMD-ONEGZZNKSA-N |
| MDL Number | MFCD20402321 |
| Molecular Formula | C10H6F2O3 |
| Molecular Weight | 212.1496 |
| SMILES | FC1=C(C=CC(=C1)F)C(/C=C/C(=O)O)=O |
| Synonyms | 4-(2,4-difluorophenyl)-4-oxobut-2-enoic acid,
SCHEMBL15747690,
SCHEMBL17102810,
GYTCEHNGUPAFMD-ONEGZZNKSA-N,
1354707-64-4,
ZINC75621054,
AKOS014043034,
NE16596,
EN300-157810,
trans-4-(2,4-difluorophenyl)-4-oxo-2-butenoic acid,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 212.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.152g/mol |
| Monoisotopic Mass | 212.029g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number