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1025-88-3,MFCD00173063
Catalog No.:AA0007IW
1025-88-3 | 5-Methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylic acid
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500mg
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2 weeks  
$874.00   $612.00
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1g
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$1,304.00   $913.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0007IW
Chemical Name:
5-Methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylic acid
CAS Number:
1025-88-3
Molecular Formula:
C10H8N4O4
Molecular Weight:
248.1949
MDL Number:
MFCD00173063
IUPAC Name:
5-methyl-1-(4-nitrophenyl)-1,2,4-triazole-3-carboxylic acid
InChI:
InChI=1S/C10H8N4O4/c1-6-11-9(10(15)16)12-13(6)7-2-4-8(5-3-7)14(17)18/h2-5H,1H3,(H,15,16)
InChI Key:
AGPQLGNAAHYBPG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1nc(nc1C)C(=O)O
Properties
Computed Properties
 
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.055g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.198g/mol
Monoisotopic Mass:
248.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
5-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylic acid 
1025-88-3 
DTXSID80377666 
HMS2598H08 
ZINC167596 
0634AA 
ANW-55833 
methylnitrophenyltriazolecarboxylicacid 
MFCD00173063 
SBB100381 
AKOS005069617 
RP14133 
5-methyl-1-(4-nitrophenyl)-1,2,4-triazole-3-carboxylic Acid 
12G-348S 
AJ-16689 
SMR000337811 
AX8182118 
TR-000637 
FT-0680062 
Z-2507 
I04-4615 
J-517720 
5-methyl-1(4-nitrophenyl)-1h-1,2-4-triazole-3-carboxylic acid 
AGPQLGNAAHYBPG-UHFFFAOYSA-N 
5-methyl-1-(4-nitro-phenyl)-1H-[1,2,4]triazole-3-carboxylic acid 
C10H8N4O4 
CID2768762 
5-Methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylicacid 
AC1MCG2F 
MLS000755431 
SCHEMBL1820467 
CHEMBL1466251 
CTK4A1287 
KS-00001SOX 
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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