3-Pyridinecarbonitrile, 5-chloro-1,2-dihydro-4-methoxy-2-oxo-


Chemical Name: 3-Pyridinecarbonitrile, 5-chloro-1,2-dihydro-4-methoxy-2-oxo-
CAS Number: 147619-40-7
Product Number: AG001F0Y(AGN-PC-0NDM5D)
Synonyms:
MDL No:
Molecular Formula: C7H5ClN2O2
Molecular Weight: 184.5798

Identification/Properties


Computed Properties
Molecular Weight:
184.579g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
184.004g/mol
Monoisotopic Mass:
184.004g/mol
Topological Polar Surface Area:
62.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
335
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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