1-(2-chloro-5-methylpyrimidin-4-yl)ethanone


Chemical Name: 1-(2-chloro-5-methylpyrimidin-4-yl)ethanone
CAS Number: 1416351-95-5
Product Number: AG001GQF(AGN-PC-0H0YMC)
Synonyms:
MDL No:
Molecular Formula: C7H7ClN2O
Molecular Weight: 170.5963

Identification/Properties


Computed Properties
Molecular Weight:
170.596g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
170.025g/mol
Monoisotopic Mass:
170.025g/mol
Topological Polar Surface Area:
42.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
163
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


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