Home Halogens Ethyl 5-chloro-1h-1,2,4-triazole-3-carboxylate

Ethyl 5-chloro-1h-1,2,4-triazole-3-carboxylate

CAS No.:
774608-88-7
Catalog Number:
AG005LF6
Molecular Formula:
C5H6ClN3O2
Molecular Weight:
175.5730
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$179
- +
1g
95%
In Stock USA
United States
$439
- +
Product Description
Catalog Number:
AG005LF6
Chemical Name:
Ethyl 5-chloro-1h-1,2,4-triazole-3-carboxylate
CAS Number:
774608-88-7
Molecular Formula:
C5H6ClN3O2
Molecular Weight:
175.5730
MDL Number:
MFCD11040186
IUPAC Name:
ethyl 5-chloro-1H-1,2,4-triazole-3-carboxylate
InChI:
InChI=1S/C5H6ClN3O2/c1-2-11-4(10)3-7-5(6)9-8-3/h2H2,1H3,(H,7,8,9)
InChI Key:
WBHBIABCHFSRAJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c(n1)Cl
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.015g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.572g/mol
Monoisotopic Mass:
175.015g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties