Benzoic acid, 4-(2-amino-5-pyrimidinyl)-


Chemical Name: Benzoic acid, 4-(2-amino-5-pyrimidinyl)-
CAS Number: 222987-21-5
Product Number: AG00BD8G(AGN-PC-00535G)
Synonyms:
MDL No:
Molecular Formula: C11H9N3O2
Molecular Weight: 215.2081

Identification/Properties


Computed Properties
Molecular Weight:
215.212g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
215.069g/mol
Monoisotopic Mass:
215.069g/mol
Topological Polar Surface Area:
89.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
244
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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