6-chloro-3-methylpyrimidin-4-one


Chemical Name: 6-chloro-3-methylpyrimidin-4-one
CAS Number: 101079-62-3
Product Number: AG0003NY(AGN-PC-0L9WB6)
Synonyms:
MDL No:
Molecular Formula: C5H5ClN2O
Molecular Weight: 144.5590

Identification/Properties


Computed Properties
Molecular Weight:
144.558g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
144.009g/mol
Monoisotopic Mass:
144.009g/mol
Topological Polar Surface Area:
32.7A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
197
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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