bromoacetone   Click here for help

GtoPdb Ligand ID: 6293

Synonyms: acetonyl bromide | martonite | monobromoacetone
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 17.07
Molecular weight 135.95
XLogP 0.76
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)CBr
Isomeric SMILES CC(=O)CBr
InChI InChI=1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3
InChI Key VQFAIAKCILWQPZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-bromopropan-2-one
Synonyms Click here for help
acetonyl bromide | martonite | monobromoacetone
Database Links Click here for help
CAS Registry No. 598-31-2 (source: SciFinder)
ChEMBL Ligand CHEMBL1085947
GtoPdb PubChem SID 178102913
PubChem CID 11715
Search Google for chemical match using the InChIKey VQFAIAKCILWQPZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VQFAIAKCILWQPZ
Search UniChem for chemical match using the InChIKey VQFAIAKCILWQPZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VQFAIAKCILWQPZ
Wikipedia Bromoacetone