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Home Fluorides 86571-25-7
86571-25-7,MFCD00192532
Catalog No.:AA008FL2

86571-25-7 | 1,1,1-Trifluoro-4-phenylbut-3-en-2-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
2 weeks  
$156.00   $110.00
- +
250mg
95%
2 weeks  
$251.00   $176.00
- +
1g
95+%
2 weeks  
$707.00   $495.00
- +
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Technical Information
Catalog Number:
AA008FL2
Chemical Name:
1,1,1-Trifluoro-4-phenylbut-3-en-2-one
CAS Number:
86571-25-7
Molecular Formula:
C10H7F3O
Molecular Weight:
200.1572
MDL Number:
MFCD00192532
SMILES:
O=C(C(F)(F)F)/C=C/c1ccccc1
Properties
Computed Properties
 
Complexity:
224  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
2  
XLogP3:
3.2  

Literature

Title: Quantum chemical- and 3-D-QSAR (CoMFA) studies of benzalacetones and 1,1,1-trifluoro-4-phenyl-3-buten-2-ones.

Journal: Bioorganic & medicinal chemistry letters 20020902

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Tags:86571-25-7 Molecular Formula|86571-25-7 MDL|86571-25-7 SMILES|86571-25-7 1,1,1-Trifluoro-4-phenylbut-3-en-2-one