Pyrazinecarbonitrile, 3-amino-6-(chloromethyl)-, 4-oxide


Chemical Name: Pyrazinecarbonitrile, 3-amino-6-(chloromethyl)-, 4-oxide
CAS Number: 40127-89-7
Product Number: AG003IWS(AGN-PC-0O9YXI)
Synonyms:
MDL No:
Molecular Formula: C6H5ClN4O
Molecular Weight: 184.5831

Identification/Properties


Computed Properties
Molecular Weight:
184.583g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
184.015g/mol
Monoisotopic Mass:
184.015g/mol
Topological Polar Surface Area:
83.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
324
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

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NMR Spectrum


Other Analytical Data


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