4-Pyrimidinecarboxylic acid, 5-bromo-, ethyl ester


Chemical Name: 4-Pyrimidinecarboxylic acid, 5-bromo-, ethyl ester
CAS Number: 64224-59-5
Product Number: AG003QCC(AGN-PC-039YNA)
Synonyms:
MDL No: MFCD16660482
Molecular Formula: C7H7BrN2O2
Molecular Weight: 231.0467

Identification/Properties


Properties
BP:
293.0±20.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
231.049g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
229.969g/mol
Monoisotopic Mass:
229.969g/mol
Topological Polar Surface Area:
52.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
166
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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