NBT
Summary
| Name: | (2S)-2-NITROBUTANE |
| Formula: | C4 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 103.12 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-nitrobutane |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-nitrobutane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)C(C)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[C@H](C)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | CC[CH](C)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@H](C)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(C)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C4H9NO2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | SUGZATOHBPXTDV-BYPYZUCNSA-N |
