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205754-50-3,MFCD17018888
Catalog No.:AA002A93

205754-50-3 | 2H-3,1-Benzoxazin-2-one, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-7-hydroxy-4-(trifluoromethyl)-

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Purity
Availability
Price(USD)
Quantity
  
1mg
2 weeks  
$2,031.00   $1,422.00
- +
5mg
2 weeks  
$5,041.00   $3,529.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA002A93
Chemical Name:
2H-3,1-Benzoxazin-2-one, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-7-hydroxy-4-(trifluoromethyl)-
CAS Number:
205754-50-3
Molecular Formula:
C14H9ClF3NO3
Molecular Weight:
331.6744
MDL Number:
MFCD17018888
SMILES:
FC(C1(C#CC2CC2)OC(=O)Nc2c1cc(Cl)c(c2)O)(F)F
Properties
Computed Properties
 
Complexity:
551  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.7  

Literature

Title: Synthesis and biological activities of potential metabolites of the non-nucleoside reverse transcriptase inhibitor efavirenz.

Journal: Bioorganic & medicinal chemistry letters 20010312

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SDS
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Tags:205754-50-3 Molecular Formula|205754-50-3 MDL|205754-50-3 SMILES|205754-50-3 2H-3,1-Benzoxazin-2-one, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-7-hydroxy-4-(trifluoromethyl)-