Pyrazinecarboxylic acid, 3-iodo-, methyl ester


Chemical Name: Pyrazinecarboxylic acid, 3-iodo-, methyl ester
CAS Number: 173290-17-0
Product Number: AG001YQY(AGN-PC-0BZ7TZ)
Synonyms:
MDL No:
Molecular Formula: C6H5IN2O2
Molecular Weight: 264.0206

Identification/Properties


Computed Properties
Molecular Weight:
264.022g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
263.94g/mol
Monoisotopic Mass:
263.94g/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

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NMR Spectrum


Other Analytical Data


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