omega-chloroacetophenone   Click here for help

GtoPdb Ligand ID: 6285

Synonyms: chloromethyl phenyl ketone | mace (lacrimator) | phenacyl chloride | tear gas
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 2
Topological polar surface area 17.07
Molecular weight 154.02
XLogP 2.14
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ClCC(=O)c1ccccc1
Isomeric SMILES ClCC(=O)c1ccccc1
InChI InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key IMACFCSSMIZSPP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-Chloro-1-phenylethanone
Synonyms Click here for help
chloromethyl phenyl ketone | mace (lacrimator) | phenacyl chloride | tear gas
Database Links Click here for help
CAS Registry No. 532-27-4 (source: SciFinder)
ChEMBL Ligand CHEMBL105712
GtoPdb PubChem SID 178102905
PubChem CID 10757
Search Google for chemical match using the InChIKey IMACFCSSMIZSPP-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey IMACFCSSMIZSPP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IMACFCSSMIZSPP
Wikipedia Phenacyl chloride