1-BENZYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLICACID


Chemical Name: 1-BENZYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLICACID
CAS Number: 28862-12-6
Product Number: AG002WVM(AGN-PC-0WAFPB)
Synonyms:
MDL No:
Molecular Formula: C10H9N3O2
Molecular Weight: 203.1974

Identification/Properties


Properties
BP:
453.798ºC at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
203.201g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
203.069g/mol
Monoisotopic Mass:
203.069g/mol
Topological Polar Surface Area:
68A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
229
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


PNMR/1-BENZYL-1H-123-TRIAZOLE-4-CARBOX-28862-12-6-hnmr.pdf

Other Analytical Data


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