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569370-39-4,MFCD22544347
Catalog No.:AA00IA2Z

569370-39-4 | 3-Formyl-5-(trifluoromethyl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$53.00   $37.00
- +
1g
98%
in stock  
$130.00   $91.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IA2Z
Chemical Name:
3-Formyl-5-(trifluoromethyl)benzonitrile
CAS Number:
569370-39-4
Molecular Formula:
C9H4F3NO
Molecular Weight:
199.1294
MDL Number:
MFCD22544347
SMILES:
O=Cc1cc(C#N)cc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
265  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2  

Downstream Synthesis Route
569370-39-4   
C15H23N3O2 
 
C24H27F3N4O2 

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.3056-3062

Literature
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SDS
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Tags:569370-39-4 Molecular Formula|569370-39-4 MDL|569370-39-4 SMILES|569370-39-4 3-Formyl-5-(trifluoromethyl)benzonitrile
Catalog No.: AA00IA2Z
569370-39-4,MFCD22544347
569370-39-4 | 3-Formyl-5-(trifluoromethyl)benzonitrile
Pack Size： 250mg
Purity： 98%
in stock
$53.00 $37.00
Pack Size： 1g
Purity： 98%
in stock
$130.00 $91.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00IA2Z
Chemical Name: 3-Formyl-5-(trifluoromethyl)benzonitrile
CAS Number: 569370-39-4
Molecular Formula: C9H4F3NO
Molecular Weight: 199.1294
MDL Number: MFCD22544347
SMILES: O=Cc1cc(C#N)cc(c1)C(F)(F)F
Properties
Complexity: 265  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2  
Downstream Synthesis Route
569370-39-4   
C15H23N3O2 
 
C24H27F3N4O2 

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.3056-3062

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