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1020253-10-4,MFCD02310122
Catalog No.:AA0006AG
1020253-10-4 | 5-tert-Butyl-3-p-tolyl-1,2,4-oxadiazole
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$57.00   $40.00
- +
5g
98%
in stock  
$172.00   $120.00
- +
25g
98%
in stock  
$572.00   $400.00
- +
100g
98%
in stock  
$1,555.00   $1,089.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0006AG
Chemical Name:
5-tert-Butyl-3-p-tolyl-1,2,4-oxadiazole
CAS Number:
1020253-10-4
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD02310122
IUPAC Name:
5-tert-butyl-3-(4-methylphenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C13H16N2O/c1-9-5-7-10(8-6-9)11-14-12(16-15-11)13(2,3)4/h5-8H,1-4H3
InChI Key:
YYELJJHQDCFHIB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1noc(n1)C(C)(C)C
Properties
Computed Properties
 
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

Synonyms
 
5-tert-Butyl-3-p-tolyl-1,2,4-oxadiazole 
1020253-10-4 
TR-000521 
Z6482 
A-4171 
I14-25087 
1,2,4-Oxadiazole, 5-(1,1-dimethylethyl)-3-(4-methylphenyl)- 
C13H16N2O 
5-tert-butyl-3-(4-methylphenyl)-1,2,4-oxadiazole 
ACMC-2097zd 
CTK8A9023 
DTXSID80674369 
ANW-14615 
MFCD02310122 
ZINC38536954 
AKOS015838105 
Literature
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