56961-27-4 Purity
96%
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The molecular formula is C7H3BrClF3.
The molecular weight is 259.45 g/mol.
Some synonyms include 2-Bromo-4-chlorobenzotrifluoride and 2-bromo-4-chloro-1-(trifluoromethyl)benzene.
The IUPAC name is 2-bromo-4-chloro-1-(trifluoromethyl)benzene.
The InChI key is ZIPJFBGICWZITF-UHFFFAOYSA-N.
The canonical SMILES representation is C1=CC(=C(C=C1Cl)Br)C(F)(F)F.
It has 3 hydrogen bond acceptors.
The topological polar surface area is 0Ų.
No, it does not have any defined atom or bond stereocenters.
Yes, the compound is canonicalized.
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