CAS
40422-70-6 Purity
96%
40422-70-6 Purity
96%
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Specification
The molecular formula is C8H9F.
The molecular weight is 124.15 g/mol.
The IUPAC name is 2-fluoro-1,3-dimethylbenzene.
The InChI is InChI=1S/C8H9F/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3.
The InChIKey is JTAUTNBVFDTYTI-UHFFFAOYSA-N.
The canonical SMILES is CC1=C(C(=CC=C1)C)F.
The CAS number is 443-88-9.
The European Community (EC) number is 207-144-5.
The DSSTox Substance ID is DTXSID80196112.
Yes, it is a canonicalized compound.