3BB
Summary
Name: | 3-BROMOBUT-3-EN-1-OL |
Synonyms: | 3-BROMO-3-BUTEN-1-OL |
Formula: | C4 H7 Br O |
Formal charge: | 0 |
Formula weight: | 151.002 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3-bromobut-3-en-1-ol |
OpenEye OEToolkits | 1.5.0 | 3-bromobut-3-en-1-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Br/C(=C)CCO |
SMILES_CANONICAL | CACTVS | 3.341 | OCCC(Br)=C |
SMILES | CACTVS | 3.341 | OCCC(Br)=C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=C(CCO)Br |
SMILES | OpenEye OEToolkits | 1.5.0 | C=C(CCO)Br |
InChI | InChI | 1.03 | InChI=1S/C4H7BrO/c1-4(5)2-3-6/h6H,1-3H2 |
InChIKey | InChI | 1.03 | RTKMFQOHBDVEBC-UHFFFAOYSA-N |