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1016-57-5,MFCD11053232
Catalog No.:AA0004VD
1016-57-5 | 5-Methyl-1-phenyl-1h-1,2,4-triazole-3-carboxylic acid
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1mg
3 weeks  
$215.00   $151.00
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5mg
3 weeks  
$232.00   $162.00
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250mg
95.0%
3 weeks  
$257.00   $180.00
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500mg
95.0%
3 weeks  
$428.00   $300.00
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1g
95.0%
3 weeks  
$585.00   $410.00
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0004VD
Chemical Name:
5-Methyl-1-phenyl-1h-1,2,4-triazole-3-carboxylic acid
CAS Number:
1016-57-5
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD11053232
IUPAC Name:
5-methyl-1-phenyl-1,2,4-triazole-3-carboxylic acid
InChI:
InChI=1S/C10H9N3O2/c1-7-11-9(10(14)15)12-13(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15)
InChI Key:
XPBATPBRNKFEPI-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c(n1)C)c1ccccc1
Properties
Computed Properties
 
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
5-methyl-1-phenyl-1H-1,2,4-triazole-3-carboxylic acid 
1016-57-5 
MFCD11053232 
STL131903 
ZINC21948246 
AKOS000301947 
BS-3283 
MCULE-2433695400 
AJ-78632 
TR-056965 
BB 0239020 
FT-0678808 
5-METHYL-1-PHENYL-1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID 
H2372 
EN300-73746 
KS-00002399 
I04-4616 
Z1259335908 
1H-1,2,4-Triazole-3-carboxylic acid, 5-methyl-1-phenyl- 
5-Methyl-1-phenyl-1H-[1,2,4]triazole-3-carbo xylic acid 
C10H9N3O2 
5-methyl-1-phenyl-1,2,4-triazole-3-carboxylic acid 
SCHEMBL6029647 
CTK7J1046 
DTXSID40622220 
7408AC 
BBL005224 
HTS004668 
Literature
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