(2R)-1-(5-bromopyridin-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
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CAS Number 1809865-11-9
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Catalog Number io-406956
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Molecular Weight 432.1700
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SMILES O[C@@](CN1C=NN=N1)(C2=CC=C(F)C=C2F)C(F)(C3=NC=C(Br)C=C3)F
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | SCHEMBL18664180 |
| 2 | QOEIHYWQLIBMRL-AWEZNQCLSA-N |
| 3 | (2R)-1-(5-bromopyridin-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol |
| Molecular Formula | C15H10BrF4N5O |
|---|---|
| Canonical SMILES | O[C@@](CN1C=NN=N1)(C2=CC=C(F)C=C2F)C(F)(C3=NC=C(Br)C=C3)F |
| Isomeric SMILES | O[C@@](CN1C=NN=N1)(C2=CC=C(F)C=C2F)C(F)(C3=NC=C(Br)C=C3)F |
| Molecular Weight | 432.1700 |
| InChIKey | QOEIHYWQLIBMRL-AWEZNQCLSA-N |
| InChI | InChI=1S/C15H10BrF4N5O/c16-9-1-4-13(21-6-9)15(19,20)14(26,7-25-8-22-23-24-25)11-3-2-10(17)5-12(11)18/h1-6,8,26H,7H2/t14-/m0/s1 |
| XLogP | 2.2000 |
| ExactMass | 431.0000 |
| MonoisotopicMass | 431.0000 |
| TPSA | 76.7000 |
| Complexity | 493.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 9 |
| RotatableBondCount | 5 |
| HeavyAtomCount | 26 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 1 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 19 |
| PatentFamilyCount | 5 |
| LiteratureCount | 0 |
