Home Carboxys 5-Chloro-1H-1,2,4-triazole-3-carboxylic acid

5-Chloro-1H-1,2,4-triazole-3-carboxylic acid

CAS No.:
21733-03-9
Catalog Number:
AG0037TU
Molecular Formula:
C3H2ClN3O2
Molecular Weight:
147.5199
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$150
- +
1g
95%
In Stock USA
United States
$350
- +
5g
95%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG0037TU
Chemical Name:
5-Chloro-1H-1,2,4-triazole-3-carboxylic acid
CAS Number:
21733-03-9
Molecular Formula:
C3H2ClN3O2
Molecular Weight:
147.5199
MDL Number:
MFCD11040183
IUPAC Name:
5-chloro-1H-1,2,4-triazole-3-carboxylic acid
InChI:
InChI=1S/C3H2ClN3O2/c4-3-5-1(2(8)9)6-7-3/h(H,8,9)(H,5,6,7)
InChI Key:
GDCBIQJUSRDOGR-UHFFFAOYSA-N
SMILES:
OC(=O)c1nnc([nH]1)Cl
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.984g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
147.518g/mol
Monoisotopic Mass:
146.984g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties