Benzoic acid, 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]-


Chemical Name: Benzoic acid, 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]-
CAS Number: 201530-41-8
Product Number: AG002DHE(AGN-PC-04XYY6)
Synonyms:
MDL No: MFCD09951804
Molecular Formula: C21H15N3O4
Molecular Weight: 373.3615

Identification/Properties


Computed Properties
Molecular Weight:
373.368g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
373.106g/mol
Monoisotopic Mass:
373.106g/mol
Topological Polar Surface Area:
109A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
540
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-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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