2-(1-(~2~H_3_)Methyl-5-nitro-1H-imidazol-2-yl)propan-2-ol
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CAS Number 1156508-86-9
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Catalog Number io-406997
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Molecular Weight 188.2000
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SMILES
| Size | QTY | Notes | |
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| 1 | DTXSID30857781 |
| 2 | 2-(1-(~2~H_3_)Methyl-5-nitro-1H-imidazol-2-yl)propan-2-ol |
| 3 | 2-[1-(~2~H_3_)Methyl-5-nitro-1H-imidazol-2-yl]propan-2-ol |
| 4 | RefChem:1060631 |
| 5 | DTXCID40808522 |
| Molecular Formula | C7H11N3O3 |
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| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 188.2000 |
| InChIKey | DTHPMNDYKOSVFR-HPRDVNIFSA-N |
| InChI | InChI=1S/C7H11N3O3/c1-7(2,11)6-8-4-5(9(6)3)10(12)13/h4,11H,1-3H3/i3D3 |
| XLogP | -0.5000 |
| ExactMass | 188.0989 |
| MonoisotopicMass | 188.0989 |
| TPSA | 83.9000 |
| Complexity | 214.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 13 |
| IsotopeAtomCount | 3 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |
