| CAS Number | 218930-20-2 |
| Catalog Number | AG006YYS(AGN-PC-0WB4GI) |
| Chemical Name | N-(2,4-difluorophenyl)-3-oxobutanamide |
| IUPAC Name | N-(2,4-difluorophenyl)-3-oxobutanamide |
| InChI | InChI=1S/C10H9F2NO2/c1-6(14)4-10(15)13-9-3-2-7(11)5-8(9)12/h2-3,5H,4H2,1H3,(H,13,15) |
| InChI Key | CNAPKPKZXWZLMD-UHFFFAOYSA-N |
| MDL Number | MFCD00828654 |
| Molecular Formula | C10H9F2NO2 |
| Molecular Weight | 213.1808 |
| SMILES | C(=O)(CC(C)=O)NC1C=CC(=CC=1F)F |
| Synonyms | N-(2,4-difluorophenyl)-3-oxobutanamide,
218930-20-2,
CBMicro_045500,
AC1LEK16,
CTK4E7909,
DTXSID40353224,
ZINC166920,
BBL004917,
MFCD00828654,
STL090843,
AKOS000166339,
MCULE-9645048263,
AJ-16556,
BIM-0045513.P001,
ST51017191,
W-7653,
N- -3-oxobutanamide,
CID737293,
ZINC00166920,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.184g/mol |
| Monoisotopic Mass | 213.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number