2,4-Pyrimidinediamine, 5-[5-iodo-4-methoxy-2-(1-methylethyl)phenoxy]-


Chemical Name: 2,4-Pyrimidinediamine, 5-[5-iodo-4-methoxy-2-(1-methylethyl)phenoxy]-
CAS Number: 865305-30-2
Product Number: AG0036CF(AGN-PC-00QEEV)
Synonyms:
MDL No:
Molecular Formula: C14H17IN4O2
Molecular Weight: 400.2149

Identification/Properties


Properties
Form:
Solid
Computed Properties
Molecular Weight:
400.22g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
400.04g/mol
Monoisotopic Mass:
400.04g/mol
Topological Polar Surface Area:
96.3A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
334
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

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NMR Spectrum


Other Analytical Data


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