CAS
955028-82-7 Purity
96%
955028-82-7 Purity
96%
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The molecular formula is C9H8F4O.
The molecular weight is 208.15 g/mol.
The IUPAC name is 2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol.
The InChI is InChI=1S/C9H8F4O/c10-8-4-6(1-2-14)3-7(5-8)9(11,12)13/h3-5,14H,1-2H2.
The InChIKey is YXAPZQMIKYUSCX-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C=C(C=C1C(F)(F)F)F)CCO.
The CAS number is 955036-77-8.
The XLogP3-AA value is 2.5.
The compound has 1 hydrogen bond donor count.
The compound has 2 rotatable bond counts.