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


Chemical Name: 5-Pyrimidinecarboxylic acid, 4-chloro-, ethyl ester
CAS Number: 41103-17-7
Product Number: AG003QA6(AGN-PC-0NJW0V)
Synonyms:
MDL No: MFCD07371659
Molecular Formula: C7H7ClN2O2
Molecular Weight: 186.5957

Identification/Properties


Properties
BP:
278.2°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Liquid
Computed Properties
Molecular Weight:
186.595g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
186.02g/mol
Monoisotopic Mass:
186.02g/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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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