Home Nitro Compounds 54608-96-7
54608-96-7,MFCD00274806
Catalog No.:AA003I2J
54608-96-7 | 3-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
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Purity
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Price(USD)
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1g
98%
in stock  
$86.00   $60.00
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5g
98%
in stock  
$258.00   $180.00
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Technical Information
Catalog Number:
AA003I2J
Chemical Name:
3-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CAS Number:
54608-96-7
Molecular Formula:
C12H7N3O3S
Molecular Weight:
273.2673
MDL Number:
MFCD00274806
IUPAC Name:
3-(4-nitrophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
InChI:
InChI=1S/C12H7N3O3S/c16-15(17)9-5-3-8(4-6-9)11-13-12(18-14-11)10-2-1-7-19-10/h1-7H
InChI Key:
RNBDDVSNTYIAEV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1noc(n1)c1cccs1
NSC Number:
372773
Properties
Computed Properties
 
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.021g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.266g/mol
Monoisotopic Mass:
273.021g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
3-(4-nitrophenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole 
54608-96-7 
DTXSID70321279 
ANW-32129 
MFCD00274806 
STK118241 
AKOS001654008 
MCULE-6899057279 
NSC-372773 
AJ-10460 
BAS 00678574 
CJ-00624 
3-(4-nitrophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole 
TR-019304 
ST24022583 
ST51014700 
V6541 
K-9832 
3-(4-nitrophenyl)-5-(2-thienyl)-1,2,4-oxadiazole 
2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]thiophene 
3-(4-Nitro-phenyl)-5-thiophen-2-yl-[1,2,4]oxadiazole 
C12H7N3O3S 
CID341159 
NSC372773 
ACMC-1AMQC 
AC1L7TDU 
Maybridge1_001162 
CTK5A1898 
HMS544M18 
ZINC78557 
Literature
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