Home Fluorides 96789-80-9
96789-80-9,MFCD03093004
Catalog No.:AA00IJS7

96789-80-9 | (S)-1-(3-(Trifluoromethyl)phenyl)ethanol

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100mg
95%
in stock  
$22.00   $16.00
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250mg
95%
in stock  
$51.00   $36.00
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00IJS7
Chemical Name:
(S)-1-(3-(Trifluoromethyl)phenyl)ethanol
CAS Number:
96789-80-9
Molecular Formula:
C9H9F3O
Molecular Weight:
190.1624
MDL Number:
MFCD03093004
SMILES:
C[C@@H](c1cccc(c1)C(F)(F)F)O
Properties
Computed Properties
 
Complexity:
167  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.3  

Literature

Title: Substituent effects on the stereochemistry of gas-phase intracomplex nucleophilic substitutions.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20061016

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SDS
Tags:96789-80-9 Molecular Formula|96789-80-9 MDL|96789-80-9 SMILES|96789-80-9 (S)-1-(3-(Trifluoromethyl)phenyl)ethanol