Home Halogens Ethyl 5-bromo-1H-1,2,4-triazole-3-carboxylate

Ethyl 5-bromo-1H-1,2,4-triazole-3-carboxylate

CAS No.:
774608-89-8
Catalog Number:
AG003QCB
Molecular Formula:
C5H6BrN3O2
Molecular Weight:
220.0240
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$119
- +
5g
95%
In Stock USA
United States
$363
- +
10g
95%
In Stock USA
United States
$613
- +
25g
95%
In Stock USA
United States
$1238
- +
100g
95%
In Stock USA
United States
$3557
- +
Product Description
Catalog Number:
AG003QCB
Chemical Name:
Ethyl 5-bromo-1H-1,2,4-triazole-3-carboxylate
CAS Number:
774608-89-8
Molecular Formula:
C5H6BrN3O2
Molecular Weight:
220.0240
MDL Number:
MFCD11040185
IUPAC Name:
ethyl 5-bromo-1H-1,2,4-triazole-3-carboxylate
InChI:
InChI=1S/C5H6BrN3O2/c1-2-11-4(10)3-7-5(6)9-8-3/h2H2,1H3,(H,7,8,9)
InChI Key:
IKUFDPUSUXPOAC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c(n1)Br
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.964g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.026g/mol
Monoisotopic Mass:
218.964g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties