2-Chloro-6-methylpyridine;trifluoromethanesulfonic acid
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CAS Number 1044508-08-8
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Catalog Number io-406942
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Molecular Weight 277.6500
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SMILES O=S(=O)(O)C(F)(F)F.ClC=1N=C(C=CC1)C
| Size | QTY | Notes | |
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No description available for this item
| 1 | SCHEMBL17262450 |
| Molecular Formula | C7H7ClF3NO3S |
|---|---|
| Canonical SMILES | O=S(=O)(O)C(F)(F)F.ClC=1N=C(C=CC1)C |
| Isomeric SMILES | O=S(=O)(O)C(F)(F)F.ClC=1N=C(C=CC1)C |
| Molecular Weight | 277.6500 |
| InChIKey | UJMMDELKHDBSIP-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H6ClN.CHF3O3S/c1-5-3-2-4-6(7)8-5;2-1(3,4)8(5,6)7/h2-4H,1H3;(H,5,6,7) |
| XLogP | 0.0000 |
| ExactMass | 276.9800 |
| MonoisotopicMass | 276.9800 |
| TPSA | 75.6000 |
| Complexity | 233.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 7 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 16 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 6 |
| PatentFamilyCount | 2 |
| LiteratureCount | 0 |
