Home Carboxys Ethyl 1H-1,2,3-benzotriazole-5-carboxylate

Ethyl 1H-1,2,3-benzotriazole-5-carboxylate

CAS No.:
73605-91-1
Catalog Number:
AG008QFP
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$113
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG008QFP
Chemical Name:
Ethyl 1H-1,2,3-benzotriazole-5-carboxylate
CAS Number:
73605-91-1
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD00963122
IUPAC Name:
ethyl 2H-benzotriazole-5-carboxylate
InChI:
InChI=1S/C9H9N3O2/c1-2-14-9(13)6-3-4-7-8(5-6)11-12-10-7/h3-5H,2H2,1H3,(H,10,11,12)
InChI Key:
INHQGDXFYZBMFS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)nn[nH]2
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties