3-Pyridinecarboxylic acid, 2-chloro-5-nitro-, methyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 2-chloro-5-nitro-, methyl ester
CAS Number: 190271-88-6
Product Number: AG002EGH(AGN-PC-0229FQ)
Synonyms:
MDL No:
Molecular Formula: C7H5ClN2O4
Molecular Weight: 216.5786

Identification/Properties


Computed Properties
Molecular Weight:
216.577g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
215.994g/mol
Monoisotopic Mass:
215.994g/mol
Topological Polar Surface Area:
85A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
242
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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