87905-98-4 Purity
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Specification
The molecular formula is C15H12F6N2O2.
The molecular weight is 366.26 g/mol.
The IUPAC name is 2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol.
The InChI is InChI=1S/C15H12F6N2O2/c16-14(17,18)13(15(19,20)21,7-1-3-11(24)9(22)5-7)8-2-4-12(25)10(23)6-8/h1-6,24-25H,22-23H2.
The InChIKey is MSTZGVRUOMBULC-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1C(C2=CC(=C(C=C2)O)N)(C(F)(F)F)C(F)(F)F)N)O.
The CAS number is 83558-87-6.
The ChEMBL ID is CHEMBL2392776.
The DSSTox Substance ID is DTXSID70888610.
Yes, 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane is a canonical compound.