BBU
Summary
Name: | 1-BROMOBUTANE |
Formula: | C4 H9 Br |
Formal charge: | 0 |
Formula weight: | 137.018 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 1-bromobutane |
OpenEye OEToolkits | 1.5.0 | 1-bromobutane |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | BrCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCBr |
SMILES | CACTVS | 3.341 | CCCCBr |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCBr |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCBr |
InChI | InChI | 1.03 | InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3 |
InChIKey | InChI | 1.03 | MPPPKRYCTPRNTB-UHFFFAOYSA-N |