| CAS Number | 1152960-75-2 |
| Catalog Number | AG00JSR4(AGN-PC-0WONW6) |
| Chemical Name | 5-Chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C11H5ClF4N2O/c12-10-8(5-19)9(11(14,15)16)17-18(10)7-3-1-6(13)2-4-7/h1-5H |
| InChI Key | CZELPYCSCUGYKE-UHFFFAOYSA-N |
| MDL Number | MFCD12634664 |
| Molecular Formula | C11H5ClF4N2O |
| Molecular Weight | 292.6168 |
| SMILES | Fc1ccc(cc1)-n1nc(c(C=O)c1Cl)C(F)(F)F |
| Synonyms | 5-Chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde,
1152960-75-2,
SCHEMBL15332642,
KS-00001KF6,
MFCD12634664,
ZINC37326871,
CS-0060250,
5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde,
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| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.618g/mol |
| Monoisotopic Mass | 292.003g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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