2,6-Pyridinedicarboxylic acid, 4-bromo-, diethyl ester


Chemical Name: 2,6-Pyridinedicarboxylic acid, 4-bromo-, diethyl ester
CAS Number: 112776-83-7
Product Number: AG0081UI(AGN-PC-00O0IG)
Synonyms:
MDL No:
Molecular Formula: C11H12BrNO4
Molecular Weight: 302.1213

Identification/Properties


Computed Properties
Molecular Weight:
302.124g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
300.995g/mol
Monoisotopic Mass:
300.995g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
259
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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