CAS
96784-54-2 Purity
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96784-54-2 Purity
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Specification
The molecular formula is C9H9F3O.
The PubChem CID is 7004853.
The IUPAC Name is (1S)-1-[3-(trifluoromethyl)phenyl]ethanol.
The InChI is InChI=1S/C9H9F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-6,13H,1H3/t6-/m0/s1.
The InChIKey is YNVXCOKNHXMBQC-LURJTMIESA-N.
The Canonical SMILES is CC(C1=CC(=CC=C1)C(F)(F)F)O.
The molecular weight is 190.16 g/mol.
There is 1 hydrogen bond donor count.
There are 4 hydrogen bond acceptor counts.
There is 1 rotatable bond count.