CAS
99487-86-2 Purity
96%
99487-86-2 Purity
96%
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(S)-1-[4-(TRIFLUOROMETHYL)PHENYL]ETHANOL
CAS
99493-93-3
Catalog Number
ACM99493933
Category
Other Products
Molecular Weight
190.16
Molecular Formula
C9H9F3O
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Specification
Synonyms
S-PTF-PEL;(S)-1-[4-(TRIFLUOROMETHYL)PHENYL]ETHANOL
What is the molecular formula of the compound?
The molecular formula is C9H9F3O.
What are the synonyms of the compound?
The synonyms are 99493-93-3, (S)-1-(4-(trifluoromethyl)phenyl)ethanol, (1S)-1-[4-(trifluoromethyl)phenyl]ethanol, and (1S)-1-[4-(trifluoromethyl)phenyl]ethan-1-ol.
What is the computed IUPAC name of the compound?
The computed IUPAC name is (1S)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the InChI of the compound?
The InChI is InChI=1S/C9H9F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6,13H,1H3/t6-/m0/s1.
What is the InChIKey of the compound?
The InChIKey is YMXIDIAEXNLCFT-LURJTMIESA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CC(C1=CC=C(C=C1)C(F)(F)F)O.
How much does the compound weigh?
The compound has a molecular weight of 190.16 g/mol.
What is the XLogP3-AA of the compound?
The XLogP3-AA is 2.3.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
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