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1269529-72-7,MFCD16503009
Catalog No.:AA009Y85

1269529-72-7 | 2-(4-(TrifluoroMethyl)benzyl)butanoic acid

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  • Technical Information
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Technical Information
Catalog Number:
AA009Y85
Chemical Name:
2-(4-(TrifluoroMethyl)benzyl)butanoic acid
CAS Number:
1269529-72-7
Molecular Formula:
C12H13F3O2
Molecular Weight:
246.2256
MDL Number:
MFCD16503009
SMILES:
CCC(C(=O)O)Cc1ccc(cc1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
255  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.5  

Literature
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Additional Info:
SDS
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Tags:1269529-72-7 Molecular Formula|1269529-72-7 MDL|1269529-72-7 SMILES|1269529-72-7 2-(4-(TrifluoroMethyl)benzyl)butanoic acid