2-chloro-4-methoxypyrimidine-5-carbonitrile


Chemical Name: 2-chloro-4-methoxypyrimidine-5-carbonitrile
CAS Number: 1106295-93-5
Product Number: AG0083IN(AGN-PC-03O1VP)
Synonyms:
MDL No:
Molecular Formula: C6H4ClN3O
Molecular Weight: 169.5685

Identification/Properties


Computed Properties
Molecular Weight:
169.568g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
169.004g/mol
Monoisotopic Mass:
169.004g/mol
Topological Polar Surface Area:
58.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
178
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


NMR Spectrum


Other Analytical Data


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