| CAS Number | 1864052-96-9 |
| Catalog Number | AG00IKDF(AGN-PC-0WOGW8) |
| Chemical Name | 4-(3-Hydroxypropyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole |
| IUPAC Name | 3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol |
| InChI | InChI=1S/C8H11F3N2O/c1-13-5-6(3-2-4-14)7(12-13)8(9,10)11/h5,14H,2-4H2,1H3 |
| InChI Key | PIZBBZLPNLGBIM-UHFFFAOYSA-N |
| MDL Number | MFCD29127296 |
| Molecular Formula | C8H11F3N2O |
| Molecular Weight | 208.1809 |
| SMILES | CN1N=C(C(F)(F)F)C(CCCO)=C1 |
| Synonyms | 4-(3-Hydroxypropyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole,
1864052-96-9,
ZINC180434668,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.184g/mol |
| Monoisotopic Mass | 208.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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