Benzoic acid, 4-(2-pyrimidinyl)-


Chemical Name: Benzoic acid, 4-(2-pyrimidinyl)-
CAS Number: 199678-12-1
Product Number: AG002C9L(AGN-PC-0K6A4Q)
Synonyms:
MDL No:
Molecular Formula: C11H8N2O2
Molecular Weight: 200.1934

Identification/Properties


Computed Properties
Molecular Weight:
200.197g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
200.059g/mol
Monoisotopic Mass:
200.059g/mol
Topological Polar Surface Area:
63.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
219
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

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NMR Spectrum


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