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950259-82-2,MFCD14716324
Catalog No.:AA00IIM9
ethyl 5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylate | 950259-82-2
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250mg
95.0%
1 week  
$301.00
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500mg
95.0%
1 week  
$312.00
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1g
95.0%
1 week  
$325.00
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00IIM9
Chemical Name:
ethyl 5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylate
CAS Number:
950259-82-2
Molecular Formula:
C11H9FN2O3
Molecular Weight:
236.1992
MDL Number:
MFCD14716324
IUPAC Name:
ethyl 5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylate
InChI:
InChI=1S/C11H9FN2O3/c1-2-16-11(15)10-14-13-9(17-10)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3
InChI Key:
YVDWIXOLWWSICJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnc(o1)c1ccc(cc1)F
Properties
Computed Properties
 
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.06g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.202g/mol
Monoisotopic Mass:
236.06g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
Ethyl 5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylate 
950259-82-2 
MCULE-1449750893 
CS-10440 
BC4245528 
KS-00002412 
1,3,4-oxadiazole-2-carboxylic acid, 5-(4-fluorophenyl)-, ethyl ester 
Ethyl 5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylate, AldrichCPR 
C11H9FN2O3 
ethyl 5-(3,4-dichlorophenyl)-1,3,4-oxadiazole-2-carboxylate 
SCHEMBL167291 
DTXSID20625638 
ALBB-020380 
ZX-AN036046 
4195AF 
MFCD14716324 
ZINC15828510 
AKOS001489695 
Literature
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