Pyrazinecarboxylic acid, 3-amino-6-iodo-, methyl ester


Chemical Name: Pyrazinecarboxylic acid, 3-amino-6-iodo-, methyl ester
CAS Number: 1458-16-8
Product Number: AG001DFI(AGN-PC-0NFO2P)
Synonyms:
MDL No:
Molecular Formula: C6H6IN3O2
Molecular Weight: 279.0352

Identification/Properties


Computed Properties
Molecular Weight:
279.037g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
278.95g/mol
Monoisotopic Mass:
278.95g/mol
Topological Polar Surface Area:
78.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
178
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


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