| CAS Number | 362640-54-8 |
| Catalog Number | AG00CLTP(AGN-PC-08VYDS) |
| Chemical Name | 1-Ethyl-3-(trifluoromethyl)pyrazole |
| IUPAC Name | 1-ethyl-3-(trifluoromethyl)pyrazole |
| InChI | InChI=1S/C6H7F3N2/c1-2-11-4-3-5(10-11)6(7,8)9/h3-4H,2H2,1H3 |
| InChI Key | DMKCKVIESYGHDR-UHFFFAOYSA-N |
| MDL Number | MFCD15976388 |
| Molecular Formula | C6H7F3N2 |
| Molecular Weight | 164.1284 |
| SMILES | CCN1N=C(C(F)(F)F)C=C1 |
| Synonyms | 362640-54-8,
1-Ethyl-3-(trifluoromethyl)-1H-pyrazole,
1-ethyl-3-(trifluoromethyl)pyrazole,
1-ethyl-3-trifluoromethyl-1h-pyrazole,
SCHEMBL950089,
MFCD15976388,
SBB073349,
ZINC71791881,
AKOS005169255,
MCULE-4388014206,
AJ-118731,
ST45255940,
V5504,
K-8118,
C6H7F3N2,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.131g/mol |
| Monoisotopic Mass | 164.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number