| CAS Number | 1033132-02-3 |
| Catalog Number | AG0094AA(AGN-PC-0WQWT7) |
| Chemical Name | 1-Propyl-3-(trifluoromethyl)pyrazole |
| IUPAC Name | 1-propyl-3-(trifluoromethyl)pyrazole |
| InChI | InChI=1S/C7H9F3N2/c1-2-4-12-5-3-6(11-12)7(8,9)10/h3,5H,2,4H2,1H3 |
| InChI Key | XPQAQRWNQZDDBZ-UHFFFAOYSA-N |
| MDL Number | MFCD16619915 |
| Molecular Formula | C7H9F3N2 |
| Molecular Weight | 178.1550 |
| SMILES | CCCn1ccc(n1)C(F)(F)F |
| Synonyms | 1-propyl-3-(trifluoromethyl)pyrazole,
1033132-02-3,
1-Propyl-3-(trifluoromethyl)-1H-pyrazole,
SCHEMBL15417666,
ZINC83137957,
AKOS014316538,
AJ-125758,
Z6608,
K-0358,
C7H9F3N2,
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.158g/mol |
| Monoisotopic Mass | 178.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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