CAS
455-01-6 Purity
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455-01-6 Purity
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Specification
The molecular formula is C8H6F4O.
The molecular weight is 194.13 g/mol.
The IUPAC name is [2-fluoro-6-(trifluoromethyl)phenyl]methanol.
The InChI is InChI=1S/C8H6F4O/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3,13H,4H2.
The InChIKey is TZUCYZIRXZYZOP-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C(=C1)F)CO)C(F)(F)F.
The CAS number is 152211-15-9.
The EC number is 621-952-9.
The XLogP3-AA value is 2.
Yes, it has a covalently-bonded unit count of 1.