CAS
187865-22-1 Purity
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187865-22-1 Purity
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Specification
The molecular formula is C4H5F3O2.
The molecular weight is 142.08 g/mol.
The IUPAC name is methyl 3,3,3-trifluoropropanoate.
The InChIKey is PMGBATZKLCISOD-UHFFFAOYSA-N.
The Canonical SMILES is COC(=O)CC(F)(F)F.
There are 5 hydrogen bond acceptors.
The topological polar surface area is 26.3 Ų.
Yes, it is a covalently-bonded unit.
There are 2 rotatable bond counts.
The formal charge is 0.