| CAS Number | 1072944-84-3 |
| Catalog Number | AG007WOW(AGN-PC-0WAB0F) |
| Chemical Name | 5-Amino-4-cyano-3-methyl-1-(perfluorophenyl)pyrazole |
| IUPAC Name | 5-amino-3-methyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazole-4-carbonitrile |
| InChI | InChI=1S/C11H5F5N4/c1-3-4(2-17)11(18)20(19-3)10-8(15)6(13)5(12)7(14)9(10)16/h18H2,1H3 |
| InChI Key | MIFKBUUCDOZSAT-UHFFFAOYSA-N |
| MDL Number | MFCD11053834 |
| Molecular Formula | C11H5F5N4 |
| Molecular Weight | 288.1762 |
| SMILES | N#Cc1c(C)nn(c1N)c1c(F)c(F)c(c(c1F)F)F |
| Synonyms | 1072944-84-3,
5-Amino-3-methyl-1-(perfluorophenyl)-1H-pyrazole-4-carbonitrile,
5-Amino-4-cyano-3-methyl-1-(perfluorophenyl)pyrazole,
ACMC-2098pq,
C11H5F5N4,
CTK4A5175,
DTXSID30674591,
ANW-15564,
MFCD11053834,
ZINC38537107,
AKOS015854782,
RTR-001483,
AJ-95888,
AX8239721,
TR-001483,
ST24023825,
Z6987,
A-4479,
I14-25473,
5-Amino-3-methyl-1-(pentafluorophenyl)-1H-pyrazole-4-carbonitrile,
MIFKBUUCDOZSAT-UHFFFAOYSA-N,
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| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.181g/mol |
| Monoisotopic Mass | 288.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number