Pyrazinamine, 6-chloro-


Chemical Name: Pyrazinamine, 6-chloro-
CAS Number: 33332-28-4
Product Number: AG00338O(AGN-PC-0JLLUO)
Synonyms:
MDL No: MFCD00055024
Molecular Formula: C4H4ClN3
Molecular Weight: 129.5477

Identification/Properties


Properties
MP:
150-152 °C
BP:
282.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
Soluble in dimethyl sulfoxide and methanol.
Computed Properties
Molecular Weight:
129.547g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
129.009g/mol
Monoisotopic Mass:
129.009g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
77.7
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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