1-(4-chlorophenyl)-2,4-dioxopyrimidine-5-carbonitrile


Chemical Name: 1-(4-chlorophenyl)-2,4-dioxopyrimidine-5-carbonitrile
CAS Number: 75837-75-1
Product Number: AG005TY6(AGN-PC-0KLPKL)
Synonyms:
MDL No:
Molecular Formula: C11H6ClN3O2
Molecular Weight: 247.6372

Identification/Properties


Properties
MP:
255-258℃
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
247.638g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
247.015g/mol
Monoisotopic Mass:
247.015g/mol
Topological Polar Surface Area:
73.2A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
429
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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