| CAS Number | 1019067-51-6 |
| Catalog Number | AG019PPQ |
| Chemical Name | 2-chloro-N-[1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]acetamide |
| IUPAC Name | 2-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide |
| InChI | InChI=1S/C12H11ClFN3O/c1-8-6-11(15-12(18)7-13)17(16-8)10-4-2-9(14)3-5-10/h2-6H,7H2,1H3,(H,15,18) |
| InChI Key | VIVUXESWFAWVSJ-UHFFFAOYSA-N |
| MDL Number | MFCD09802028 |
| Molecular Formula | C12H11ClFN3O |
| Molecular Weight | 267.6866 |
| SMILES | CC1=NN(C2=CC=C(F)C=C2)C(NC(CCl)=O)=C1 |
| Synonyms | 2-chloro-N-[1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]acetamide,
1019067-51-6,
AC1Q2PN6,
CTK6H5396,
ZINC12505043,
AKOS008077288,
MCULE-2780032369,
NE23650,
EN300-24673,
Z235362255,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.688g/mol |
| Monoisotopic Mass | 267.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number