2-Pyrimidinecarboxylic acid, 5-bromo-, methyl ester


Chemical Name: 2-Pyrimidinecarboxylic acid, 5-bromo-, methyl ester
CAS Number: 89581-38-4
Product Number: AG00357X(AGN-PC-07HBOO)
Synonyms:
MDL No: MFCD11111606
Molecular Formula: C6H5BrN2O2
Molecular Weight: 217.0201

Identification/Properties


Properties
MP:
148 - 149 °C
BP:
314.4°C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
217.022g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
215.953g/mol
Monoisotopic Mass:
215.953g/mol
Topological Polar Surface Area:
52.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
146
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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