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


Chemical Name: 5-Pyrimidinecarboxylic acid, 2-chloro-, ethyl ester
CAS Number: 89793-12-4
Product Number: AG0038D6(AGN-PC-0N59GX)
Synonyms:
MDL No:
Molecular Formula: C7H7ClN2O2
Molecular Weight: 186.5957

Identification/Properties


Computed Properties
Molecular Weight:
186.595g/mol
XLogP3:
1.5
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:
158
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:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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