CAS
98173-60-5 Purity
96%
98173-60-5 Purity
96%
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Specification
The molecular formula is C9H6ClF3O2.
The molecular weight is 238.59 g/mol.
The IUPAC name is 4-methoxy-2-(trifluoromethyl)benzoyl chloride.
The InChI is InChI=1S/C9H6ClF3O2/c1-15-5-2-3-6(8(10)14)7(4-5)9(11,12)13/h2-4H,1H3.
The InChIKey is MYGJNVNUYJLTOZ-UHFFFAOYSA-N.
The Canonical SMILES is COC1=CC(=C(C=C1)C(=O)Cl)C(F)(F)F.
The CAS number is 98187-17-8.
The compound has 5 hydrogen bond acceptor counts.
The topological polar surface area is 26.3Å2.
Yes, the compound is canonicalized.