4-(2H-[1,2,4]Triazol-3-yl)-benzoic acid


Chemical Name: 4-(2H-[1,2,4]Triazol-3-yl)-benzoic acid
CAS Number: 876715-40-1
Product Number: AG004KH7(AGN-PC-0WAKX2)
Synonyms:
MDL No:
Molecular Formula: C9H7N3O2
Molecular Weight: 189.1708

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
189.174g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
189.054g/mol
Monoisotopic Mass:
189.054g/mol
Topological Polar Surface Area:
78.9A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
214
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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