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The molecular formula of 1-Chloro-2-ethynylbenzene is C8H5Cl.
The molecular weight of 1-Chloro-2-ethynylbenzene is 136.58 g/mol.
The IUPAC name of 1-Chloro-2-ethynylbenzene is 1-chloro-2-ethynylbenzene.
The InChI key of 1-Chloro-2-ethynylbenzene is DGLHLIWXYSGYBI-UHFFFAOYSA-N.
The canonical SMILES of 1-Chloro-2-ethynylbenzene is C#CC1=CC=CC=C1Cl.
The CAS number of 1-Chloro-2-ethynylbenzene is 873-31-4.
The European Community (EC) number of 1-Chloro-2-ethynylbenzene is 628-265-3.
The DSSTox Substance ID of 1-Chloro-2-ethynylbenzene is DTXSID40342931.
The XLogP3-AA value of 1-Chloro-2-ethynylbenzene is 2.8.
Yes, 1-Chloro-2-ethynylbenzene is a canonicalized compound according to PubChem.
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