Home Carboxys 5-Chloro-1h-[1,2,3]triazole-4-carboxylic acid methyl ester

5-Chloro-1h-[1,2,3]triazole-4-carboxylic acid methyl ester

CAS No.:
88474-33-3
Catalog Number:
AG008AM4
Molecular Formula:
C4H4ClN3O2
Molecular Weight:
161.5465
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$242
- +
Product Description
Catalog Number:
AG008AM4
Chemical Name:
5-Chloro-1h-[1,2,3]triazole-4-carboxylic acid methyl ester
CAS Number:
88474-33-3
Molecular Formula:
C4H4ClN3O2
Molecular Weight:
161.5465
MDL Number:
MFCD01678706
IUPAC Name:
methyl 5-chloro-2H-triazole-4-carboxylate
InChI:
InChI=1S/C4H4ClN3O2/c1-10-4(9)2-3(5)7-8-6-2/h1H3,(H,6,7,8)
InChI Key:
FTUOGIDBNRPVFI-UHFFFAOYSA-N
SMILES:
COC(=O)c1nn[nH]c1Cl
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.999g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.545g/mol
Monoisotopic Mass:
160.999g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties