Home Nitro Compounds 218144-79-7
218144-79-7,MFCD00116234
Catalog No.:AA003HZQ
218144-79-7 | 3-(3-Nitrophenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
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Purity
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1g
98%
in stock  
$15.00   $10.00
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5g
98%
in stock  
$36.00   $25.00
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25g
98%
in stock  
$115.00   $80.00
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100g
98%
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$381.00   $267.00
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003HZQ
Chemical Name:
3-(3-Nitrophenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CAS Number:
218144-79-7
Molecular Formula:
C12H7N3O3S
Molecular Weight:
273.2673
MDL Number:
MFCD00116234
IUPAC Name:
3-(3-nitrophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
InChI:
InChI=1S/C12H7N3O3S/c16-15(17)9-4-1-3-8(7-9)11-13-12(18-14-11)10-5-2-6-19-10/h1-7H
InChI Key:
SQURSOAJNRVVBR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1noc(n1)c1cccs1
Properties
Computed Properties
 
Complexity:
339  
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
 
218144-79-7 
3-(3-nitrophenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole 
CTK4E7716 
DTXSID30341478 
SQURSOAJNRVVBR-UHFFFAOYSA-N 
HMS2784F17 
ZINC150544 
ANW-24589 
MFCD00116234 
STK183304 
AKOS000593383 
MCULE-7227473007 
3-(3-Nitrophenyl)-5-(2-thienyl)-1,2,4-oxadiazole 
RP06533 
RTR-010230 
AJ-12621 
BAS 00678573 
CJ-01110 
SMR000425244 
ZB005077 
ST2404741 
TR-010230 
EU-0013033 
3-(3-Nitro-phenyl)-5-thiophen-2-yl-[1,2,4]oxadiazole 
FT-0613624 
Y8286 
B-7909 
SR-01000501778 
I09-2104 
SR-01000501778-1 
W-206681 
1,2,4-Oxadiazole,3-(3-nitrophenyl)-5-(2-thienyl)- 
3-(3-nitrophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole 
C12H7N3O3S 
ACMC-209fof 
AR-1E6680 
CID573345 
ZINC00150544 
21934-46-3 
AC1LCB6X 
MLS001042202 
3-(3-nitrophenyl)-5-thien-2-yl-1,2,4-oxadiazole 
AC1Q21K3 
CHEMBL1528343 
Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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