Benzonitrile, 4-[(4-chloro-2-pyrimidinyl)amino]-


Chemical Name: Benzonitrile, 4-[(4-chloro-2-pyrimidinyl)amino]-
CAS Number: 244768-32-9
Product Number: AG002O9X(AGN-PC-0NHGWB)
Synonyms:
MDL No:
Molecular Formula: C11H7ClN4
Molecular Weight: 230.6531

Identification/Properties


Properties
MP:
210℃ (dec.)
BP:
441°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
230.655g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
230.036g/mol
Monoisotopic Mass:
230.036g/mol
Topological Polar Surface Area:
61.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
266
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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