sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys Dimethyl 1-benzyl-1h-1,2,3-triazole-4,5-dicarboxylate

Dimethyl 1-benzyl-1h-1,2,3-triazole-4,5-dicarboxylate

CAS No.:
73500-16-0
Catalog Number:
AG00ICEJ
Molecular Formula:
C13H13N3O4
Molecular Weight:
275.2600
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$133
- +
250mg
95%
In Stock USA
United States
$221
- +
1g
95%
In Stock USA
United States
$441
- +
5g
95%
In Stock USA
United States
$1323
- +
Product Description
Catalog Number:
AG00ICEJ
Chemical Name:
Dimethyl 1-benzyl-1h-1,2,3-triazole-4,5-dicarboxylate
CAS Number:
73500-16-0
Molecular Formula:
C13H13N3O4
Molecular Weight:
275.2600
MDL Number:
MFCD02956305
IUPAC Name:
dimethyl 1-benzyltriazole-4,5-dicarboxylate
InChI:
InChI=1S/C13H13N3O4/c1-19-12(17)10-11(13(18)20-2)16(15-14-10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChI Key:
VJJJUFPCCWACER-UHFFFAOYSA-N
SMILES:
COC(=O)c1n(nnc1C(=O)OC)Cc1ccccc1
Properties
Complexity:
358  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.091g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.264g/mol
Monoisotopic Mass:
275.091g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Efficient synthesis and in vitro antitubercular activity of 1,2,3-triazoles as inhibitors of Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20111215
Properties