| CAS Number | 740807-81-2 |
| Catalog Number | AG01DHBD(AGN-PC-0OHDHS) |
| Chemical Name | 4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-Pyrazole |
| IUPAC Name | 4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole |
| InChI | InChI=1S/C7H6ClF3N2/c8-4-5(3-1-2-3)12-13-6(4)7(9,10)11/h3H,1-2H2,(H,12,13) |
| InChI Key | OKKKJFMAJJOUNU-UHFFFAOYSA-N |
| MDL Number | MFCD31801862 |
| Molecular Formula | C7H6ClF3N2 |
| Molecular Weight | 210.5841 |
| SMILES | FC(F)(F)c1n[nH]c(C2CC2)c1Cl |
| Synonyms | 4-Chloro-5-cyclopropyl -3-(trifluoromethyl)-1H-Pyrazole,
740807-81-2,
SCHEMBL2871165,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.584g/mol |
| Monoisotopic Mass | 210.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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