167626-50-8,MFCD03425738
Catalog No.:AA001XEJ

167626-50-8 | Methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$150.00   $105.00
- +
  • Technical Information
  • Properties
  • Literature
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Technical Information
Catalog Number:
AA001XEJ
Chemical Name:
Methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)benzoate
CAS Number:
167626-50-8
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
MDL Number:
MFCD03425738
SMILES:
COC(=O)c1ccc(c(c1)N)n1ncnc1
Properties
Computed Properties
 
Complexity:
261  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.8  

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SDS
Tags:167626-50-8 Molecular Formula|167626-50-8 MDL|167626-50-8 SMILES|167626-50-8 Methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)benzoate
Catalog No.: AA001XEJ
167626-50-8,MFCD03425738
167626-50-8 | Methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)benzoate
Pack Size: 100mg
Purity: 95%
in stock
$150.00 $105.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001XEJ
Chemical Name: Methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)benzoate
CAS Number: 167626-50-8
Molecular Formula: C10H10N4O2
Molecular Weight: 218.2120
MDL Number: MFCD03425738
SMILES: COC(=O)c1ccc(c(c1)N)n1ncnc1
Properties
Complexity: 261  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.8  
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