2,6-Pyridinedicarboxylic acid, 4-chloro-, dimethyl ester


Chemical Name: 2,6-Pyridinedicarboxylic acid, 4-chloro-, dimethyl ester
CAS Number: 5371-70-0
Product Number: AG00DBJZ(AGN-PC-0JODPE)
Synonyms:
MDL No:
Molecular Formula: C9H8ClNO4
Molecular Weight: 229.6171

Identification/Properties


Computed Properties
Molecular Weight:
229.616g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
229.014g/mol
Monoisotopic Mass:
229.014g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
235
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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