4-Pyrimidinecarboxylic acid, 5-chloro-


Chemical Name: 4-Pyrimidinecarboxylic acid, 5-chloro-
CAS Number: 64224-65-3
Product Number: AG00EJWC(AGN-PC-02RAC1)
Synonyms:
MDL No:
Molecular Formula: C5H3ClN2O2
Molecular Weight: 158.5425

Identification/Properties


Computed Properties
Molecular Weight:
158.541g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
157.988g/mol
Monoisotopic Mass:
157.988g/mol
Topological Polar Surface Area:
63.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
142
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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