703-87-7 Purity
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Specification
The molecular formula of 1,3,5-Tris(trifluoromethyl)benzene is C9H3F9.
The molecular weight of 1,3,5-Tris(trifluoromethyl)benzene is 282.10 g/mol.
The IUPAC name of 1,3,5-Tris(trifluoromethyl)benzene is 1,3,5-tris(trifluoromethyl)benzene.
The InChI of 1,3,5-Tris(trifluoromethyl)benzene is InChI=1S/C9H3F9/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18/h1-3H.
The InChIKey of 1,3,5-Tris(trifluoromethyl)benzene is ZMAUHKSOLPYPDB-UHFFFAOYSA-N.
The canonical SMILES of 1,3,5-Tris(trifluoromethyl)benzene is C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(F)(F)F.
The CAS number of 1,3,5-Tris(trifluoromethyl)benzene is 729-81-7.
The EC number of 1,3,5-Tris(trifluoromethyl)benzene is 625-954-0.
The XLogP3-AA value of 1,3,5-Tris(trifluoromethyl)benzene is 4.6.
Yes, 1,3,5-Tris(trifluoromethyl)benzene is a canonicalized compound according to PubChem.