Benzoic acid, 4-[4-[3-(2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]-, methylester


Chemical Name: Benzoic acid, 4-[4-[3-(2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]-, methylester
CAS Number: 886444-10-6
Product Number: AG004923(AGN-PC-0VMVTW)
Synonyms:
MDL No:
Molecular Formula: C21H16N4O2
Molecular Weight: 356.3773

Identification/Properties


Properties
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
356.385g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
356.127g/mol
Monoisotopic Mass:
356.127g/mol
Topological Polar Surface Area:
80.8A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
495
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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