Acetic acid, [[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]-


Chemical Name: Acetic acid, [[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]-
CAS Number: 50892-23-4
Product Number: AG003VBY(AGN-PC-0JK7C6)
Synonyms:
MDL No:
Molecular Formula: C14H14ClN3O2S
Molecular Weight: 323.7979

Identification/Properties


Properties
MP:
156-157°C
BP:
514.4°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
323.795g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
323.05g/mol
Monoisotopic Mass:
323.05g/mol
Topological Polar Surface Area:
100A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
361
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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