Pyrazinecarboxylic acid, 3-amino-6-chloro-


Chemical Name: Pyrazinecarboxylic acid, 3-amino-6-chloro-
CAS Number: 2727-13-1
Product Number: AG00C18S(AGN-PC-0NIJ10)
Synonyms:
MDL No:
Molecular Formula: C5H4ClN3O2
Molecular Weight: 173.5572

Identification/Properties


Properties
MP:
177 - 178 °C
BP:
402.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
173.556g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
172.999g/mol
Monoisotopic Mass:
172.999g/mol
Topological Polar Surface Area:
89.1A^2
Heavy Atom Count:
11
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


NMR Spectrum


Other Analytical Data


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