4-Pyrimidinecarboxylic acid, 5-amino-2-chloro-, ethyl ester


Chemical Name: 4-Pyrimidinecarboxylic acid, 5-amino-2-chloro-, ethyl ester
CAS Number: 59950-50-4
Product Number: AG0037HN(AGN-PC-0NI9PG)
Synonyms:
MDL No:
Molecular Formula: C7H8ClN3O2
Molecular Weight: 201.6103

Identification/Properties


Properties
MP:
155°C
BP:
376.8±22.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
201.61g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
201.031g/mol
Monoisotopic Mass:
201.031g/mol
Topological Polar Surface Area:
78.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
191
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#:
N/A
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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