2-(3-Bromophenyl)-5-butyl-1,3,4-oxadiazole
-
CAS Number 957065-94-0
-
Catalog Number io-406832
-
Molecular Weight 281.1500
-
SMILES CCCCC1=NN=C(O1)C2=CC(=CC=C2)Br
| Size | QTY | Notes | |
|---|---|---|---|
|
|
|
Add |
No description available for this item
| 1 | 2-(3-Bromophenyl)-5-butyl-1,3,4-oxadiazole |
| 2 | 2-(3-Bromo-phenyl)-5-butyl-[1,3,4]oxadiazole |
| 3 | MFCD09878392 |
| 4 | DTXSID60650328 |
| 5 | AKOS015834596 |
| Molecular Formula | C12H13BrN2O |
|---|---|
| Canonical SMILES | CCCCC1=NN=C(O1)C2=CC(=CC=C2)Br |
| Isomeric SMILES | CCCCC1=NN=C(O1)C2=CC(=CC=C2)Br |
| Molecular Weight | 281.1500 |
| InChIKey | CHTQDKHZZYNJKP-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H13BrN2O/c1-2-3-7-11-14-15-12(16-11)9-5-4-6-10(13)8-9/h4-6,8H,2-3,7H2,1H3 |
| XLogP | 3.8000 |
| ExactMass | 280.0211 |
| MonoisotopicMass | 280.0211 |
| TPSA | 38.9000 |
| Complexity | 215.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 16 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |
