1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-methyl-


Chemical Name: 1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-methyl-
CAS Number: 20725-33-1
Product Number: AG002IX3(AGN-PC-0LKI3J)
Synonyms:
MDL No:
Molecular Formula: C10H8ClN3O2
Molecular Weight: 237.6424

Identification/Properties


Computed Properties
Molecular Weight:
237.643g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
237.031g/mol
Monoisotopic Mass:
237.031g/mol
Topological Polar Surface Area:
68A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
269
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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