4-Pyrimidinamine, 2,5-dichloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]-


Chemical Name: 4-Pyrimidinamine, 2,5-dichloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]-
CAS Number: 761440-16-8
Product Number: AG005FFK(AGN-PC-0D3SR7)
Synonyms:
MDL No:
Molecular Formula: C13H13Cl2N3O2S
Molecular Weight: 346.2322

Identification/Properties


Properties
MP:
149.0 to 153.0 °C
BP:
538°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
346.226g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
345.011g/mol
Monoisotopic Mass:
345.011g/mol
Topological Polar Surface Area:
80.3A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
441
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#:
N/A
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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