ethyl 1-benzyl-5-methyltriazole-4-carboxylate


Chemical Name: ethyl 1-benzyl-5-methyltriazole-4-carboxylate
CAS Number: 133992-58-2
Product Number: AG007MMN(AGN-PC-0KKQC4)
Synonyms:
MDL No:
Molecular Formula: C13H15N3O2
Molecular Weight: 245.2771

Identification/Properties


Computed Properties
Molecular Weight:
245.282g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
245.116g/mol
Monoisotopic Mass:
245.116g/mol
Topological Polar Surface Area:
57A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
279
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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