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478260-15-0,MFCD02571456
Catalog No.:AA00IR2V

478260-15-0 | 3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propanoic acid

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Technical Information
Catalog Number:
AA00IR2V
Chemical Name:
3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CAS Number:
478260-15-0
Molecular Formula:
C18H14F3NO3
Molecular Weight:
349.3039
MDL Number:
MFCD02571456
SMILES:
OC(=O)CC(N1Cc2c(C1=O)cccc2)c1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
522  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.9  

Literature
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SDS
Tags:478260-15-0 Molecular Formula|478260-15-0 MDL|478260-15-0 SMILES|478260-15-0 3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propanoic acid