3-(2-nitrobutyl)-1H-indole
3-(2-nitrobutyl)-1H-indole
Also Known As: 3-(2-nitrobutyl)-1H-indole|3-(2'-nitrobutyl)indole|3-(2-nitro-butyl)-indole|NCIOpen2_005393|J2.484.634B
CAS: 835-41-6
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.10553 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.10553 |
| Monoisotopic Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 835-41-6 |
|---|---|
| SMILES | CCC(CC1=CNC2=CC=CC=C21)[N+](=O)[O-] |
| InChIKey | CDNXXVYBJAMWAK-UHFFFAOYSA-N |
Product Overview
3-(2-nitrobutyl)-1H-indole (CAS 835-41-6), with molecular formula C12H14N2O2 and molecular weight 218.10553 g/mol. IUPAC: 3-(2-nitrobutyl)-1H-indole.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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