CAS
93982-39-9 Purity
96%
93982-39-9 Purity
96%
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Specification
The molecular formula is C10H8F4O3.
The molecular weight is 252.16 g/mol.
The IUPAC name is methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate.
The InChI is InChI=1S/C10H8F4O3/c1-16-8(15)6-2-4-7(5-3-6)17-10(13,14)9(11)12/h2-5,9H,1H3.
The InChIKey is XBSLEPDQBBJDSJ-UHFFFAOYSA-N.
The Canonical SMILES is COC(=O)C1=CC=C(C=C1)OC(C(F)F)(F)F.
The CAS number is 93982-47-9.
There are 7 hydrogen bond acceptors.
The topological polar surface area is 35.5 Å2.
Yes, the compound is canonicalized in PubChem.