4-Pyrimidinecarboxylic acid, 6-chloro-, methyl ester


Chemical Name: 4-Pyrimidinecarboxylic acid, 6-chloro-, methyl ester
CAS Number: 6627-22-1
Product Number: AG003RYG(AGN-PC-0JOIYA)
Synonyms:
MDL No:
Molecular Formula: C6H5ClN2O2
Molecular Weight: 172.5691

Identification/Properties


Properties
BP:
271.3 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
172.568g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
172.004g/mol
Monoisotopic Mass:
172.004g/mol
Topological Polar Surface Area:
52.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
154
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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