Home Nitro Compounds 1033202-00-4
1033202-00-4,MFCD10699663
Catalog No.:AA003I2I
1033202-00-4 | 3-(4-Nitrophenyl)-5-(prop-1-en-2-yl)-1,2,4-oxadiazole
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$86.00   $60.00
- +
5g
97%
in stock  
$258.00   $180.00
- +
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Technical Information
Catalog Number:
AA003I2I
Chemical Name:
3-(4-Nitrophenyl)-5-(prop-1-en-2-yl)-1,2,4-oxadiazole
CAS Number:
1033202-00-4
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
MDL Number:
MFCD10699663
IUPAC Name:
3-(4-nitrophenyl)-5-prop-1-en-2-yl-1,2,4-oxadiazole
InChI:
InChI=1S/C11H9N3O3/c1-7(2)11-12-10(13-17-11)8-3-5-9(6-4-8)14(15)16/h3-6H,1H2,2H3
InChI Key:
HJCLGFFHDOBJDR-UHFFFAOYSA-N
SMILES:
CC(=C)c1onc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
3-(4-Nitrophenyl)-5-(prop-1-en-2-yl)-1,2,4-oxadiazole 
1033202-00-4 
AJ-95849 
AX8231222 
TR-000770 
ST24022582 
Z6626 
A-4255 
I14-24560 
3-(4-nitrophenyl)-5-(prop-1-en-2-yl)-1,2,4-oxadi-azole 
C11H9N3O3 
CTK4A1963 
DTXSID40674522 
ACMC-209866 
ANW-14860 
MFCD10699663 
ZINC38537064 
AKOS015833480 
RTR-000770 
Literature
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