EBH
Summary
Name: | (2S)-1-bromopropan-2-ol |
Formula: | C3 H7 Br O |
Formal charge: | 0 |
Formula weight: | 138.991 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2S)-1-bromopropan-2-ol |
OpenEye OEToolkits | 1.7.6 | (2S)-1-bromanylpropan-2-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | BrCC(O)C |
InChI | InChI | 1.03 | InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m0/s1 |
InChIKey | InChI | 1.03 | WEGOLYBUWCMMMY-VKHMYHEASA-N |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](O)CBr |
SMILES | CACTVS | 3.370 | C[CH](O)CBr |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](CBr)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(CBr)O |