(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(2H-tetrazol-1-ium-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl]propan-2-ol
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CAS Number -
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Catalog Number io-406858
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Molecular Weight 528.4000
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SMILES
| Size | QTY | Notes | |
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No description available for this item
| 1 | VT1 |
| Molecular Formula | C23H17F7N5O2+ |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 528.4000 |
| InChIKey | IDUYJRXRDSPPRC-NRFANRHFSA-O |
| InChI | InChI=1S/C23H16F7N5O2/c24-16-4-7-18(19(25)9-16)21(36,11-35-13-32-33-34-35)23(29,30)20-8-3-15(10-31-20)14-1-5-17(6-2-14)37-12-22(26,27)28/h1-10,13,36H,11-12H2/p+1/t21-/m0/s1 |
| XLogP | 4.8000 |
| ExactMass | 528.1270 |
| MonoisotopicMass | 528.1270 |
| TPSA | 87.8000 |
| Complexity | 743.0000 |
| Charge | 1.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 12 |
| RotatableBondCount | 8 |
| HeavyAtomCount | 37 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 1 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |
