Benzoic acid, 2-(1H-pyrazol-1-yl)-


Chemical Name: Benzoic acid, 2-(1H-pyrazol-1-yl)-
CAS Number: 55317-53-8
Product Number: AG003EPS(AGN-PC-0LGG0P)
Synonyms:
MDL No: MFCD03086184
Molecular Formula: C10H8N2O2
Molecular Weight: 188.1827

Identification/Properties


Properties
MP:
190 °C
BP:
365.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
188.186g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
188.059g/mol
Monoisotopic Mass:
188.059g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
220
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


NMR Spectrum


Other Analytical Data


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