3-Pyridinecarboxylic acid, 6-chloro-1,2-dihydro-2-oxo-


Chemical Name: 3-Pyridinecarboxylic acid, 6-chloro-1,2-dihydro-2-oxo-
CAS Number: 38076-76-5
Product Number: AG0038R8(AGN-PC-0234G3)
Synonyms:
MDL No:
Molecular Formula: C6H4ClNO3
Molecular Weight: 173.5539

Identification/Properties


Computed Properties
Molecular Weight:
173.552g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
172.988g/mol
Monoisotopic Mass:
172.988g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
280
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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