Pyrazinecarboxylic acid, 3-chloro-, methyl ester


Chemical Name: Pyrazinecarboxylic acid, 3-chloro-, methyl ester
CAS Number: 27825-21-4
Product Number: AG002UUK(AGN-PC-0K6CC5)
Synonyms:
MDL No: MFCD03093326
Molecular Formula: C6H5ClN2O2
Molecular Weight: 172.5691

Identification/Properties


Properties
BP:
249.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
172.568g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
172.004g/mol
Monoisotopic Mass:
172.004g/mol
Topological Polar Surface Area:
52.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
154
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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