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Home Nitro Compounds 10185-66-7
10185-66-7,MFCD10699664
Catalog No.:AA0005NU
10185-66-7 | 5-Butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole
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1g
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2 weeks  
$222.00   $155.00
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5g
98%
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$661.00   $463.00
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Technical Information
Catalog Number:
AA0005NU
Chemical Name:
5-Butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole
CAS Number:
10185-66-7
Molecular Formula:
C12H13N3O3
Molecular Weight:
247.2499
MDL Number:
MFCD10699664
IUPAC Name:
5-butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C12H13N3O3/c1-2-3-7-11-13-12(14-18-11)9-5-4-6-10(8-9)15(16)17/h4-6,8H,2-3,7H2,1H3
InChI Key:
SQJSMRSHJOWWNR-UHFFFAOYSA-N
SMILES:
CCCCc1onc(n1)c1cccc(c1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.096g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.254g/mol
Monoisotopic Mass:
247.096g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Synonyms
 
5-Butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole 
10185-66-7 
CJ-19340 
AX8231096 
ST2406181 
TR-000451 
Z6414 
A-4131 
1,2,4-Oxadiazole, 5-butyl-3-(3-nitrophenyl)- 
I14-25149 
C12H13N3O3 
ACMC-2097x7 
CTK4A0325 
DTXSID00674503 
ANW-14537 
MFCD10699664 
ZINC38537050 
AKOS015839698 
AJ-95835 
Literature
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