| CAS Number | 1437794-28-9 |
| Catalog Number | AG001ICF(AGN-PC-0WA3YR) |
| Chemical Name | 1-(Oxan-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxaldehyde |
| IUPAC Name | 2-(oxan-2-yl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde |
| InChI | InChI=1S/C10H11F3N2O2/c11-10(12,13)8-5-7(6-16)15(14-8)9-3-1-2-4-17-9/h5-6,9H,1-4H2 |
| InChI Key | PZQZOLLJNBPAHA-UHFFFAOYSA-N |
| MDL Number | MFCD24448787 |
| Molecular Formula | C10H11F3N2O2 |
| Molecular Weight | 248.2017 |
| SMILES | O=CC1=CC(C(F)(F)F)=NN1C2CCCCO2 |
| Synonyms | 1437794-28-9,
1-(Tetrahydro-2H-pyran-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carbaldehyde,
1-(OXAN-2-YL)-3-(TRIFLUOROMETHYL)PYRAZOLE-5-CARBOXALDEHYDE,
2-(Tetrahydro-pyran-2-yl)-5-trifluoromethyl-2H-pyrazole-3-carbaldehyde,
KM3852,
MFCD24448787,
AKOS024464562,
AM80908,
AK160382,
PC448029,
AX8293526,
V3266,
1H-Pyrazole-5-carboxaldehyde, 1-(tetrahydro-2H-pyran-2-yl)-3-(trifluoromethyl)-,
C10H11F3N2O2,
ACN-046616,
1-(oxan-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carbaldehyde,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.205g/mol |
| Monoisotopic Mass | 248.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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