42365-68-4 Purity
96%
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Specification
The molecular formula of 5-Chloro-2-fluorotoluene is C7H6ClF.
The molecular weight of 5-Chloro-2-fluorotoluene is 144.57 g/mol.
The IUPAC name of 5-Chloro-2-fluorotoluene is 4-chloro-1-fluoro-2-methylbenzene.
The computed InChI of 5-Chloro-2-fluorotoluene is InChI=1S/C7H6ClF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3.
The InChIKey of 5-Chloro-2-fluorotoluene is JOXXHDGUTVUBDL-UHFFFAOYSA-N.
The canonical SMILES of 5-Chloro-2-fluorotoluene is CC1=C(C=CC(=C1)Cl)F.
The CAS number of 5-Chloro-2-fluorotoluene is 452-66-4.
The European Community (EC) number of 5-Chloro-2-fluorotoluene is 207-204-0.
The DSSTox Substance ID of 5-Chloro-2-fluorotoluene is DTXSID50196422.
Yes, 5-Chloro-2-fluorotoluene is a canonicalized compound.