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2268-14-6,MFCD08436639
Catalog No.:AA00BHA8

2268-14-6 | 2-(Trifluoromethyl)-3H-purin-6(7H)-one

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00BHA8
Chemical Name:
2-(Trifluoromethyl)-3H-purin-6(7H)-one
CAS Number:
2268-14-6
Molecular Formula:
C6H3F3N4O
Molecular Weight:
204.1094
MDL Number:
MFCD08436639
SMILES:
O=c1[nH]c(nc2c1nc[nH]2)C(F)(F)F
Properties
Computed Properties
 
Complexity:
300  
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:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.6  

Downstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1958,vol.80,p.5744,5751

354-38-1   
4-formyl-5-aminoimidazole 
  2268-14-6 

[1]Patent:CN108395432,2018,A.Locationinpatent:Paragraph0020

Literature
Quotation Request
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SDS
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Tags:2268-14-6 Molecular Formula|2268-14-6 MDL|2268-14-6 SMILES|2268-14-6 2-(Trifluoromethyl)-3H-purin-6(7H)-one
Catalog No.: AA00BHA8
2268-14-6,MFCD08436639
2268-14-6 | 2-(Trifluoromethyl)-3H-purin-6(7H)-one
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00BHA8
Chemical Name: 2-(Trifluoromethyl)-3H-purin-6(7H)-one
CAS Number: 2268-14-6
Molecular Formula: C6H3F3N4O
Molecular Weight: 204.1094
MDL Number: MFCD08436639
SMILES: O=c1[nH]c(nc2c1nc[nH]2)C(F)(F)F
Properties
Complexity: 300  
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: 6  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.6  
Downstream Synthesis Route
354-38-1    72-40-2    2268-14-6 

[1]JournaloftheAmericanChemicalSociety,1958,vol.80,p.5744,5751

354-38-1   
4-formyl-5-aminoimidazole 
  2268-14-6 

[1]Patent:CN108395432,2018,A.Locationinpatent:Paragraph0020

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