CAS
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Specification
The molecular formula is C8H4F4O2.
The molecular weight is 208.11 g/mol.
The IUPAC name is 3-fluoro-4-(trifluoromethoxy)benzaldehyde.
The InChI code is InChI=1S/C8H4F4O2/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-4H.
The InChIKey is RQLRUBHAAVGRPW-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1C=O)F)OC(F)(F)F.
The CAS number is 473917-15-6.
The EC number is 676-487-4.
The XLogP3-AA value is 2.7.
Yes, the compound is canonicalized.