dimethyl 2-(5-bromo-3-nitropyridin-2-yl)propanedioate


Chemical Name: dimethyl 2-(5-bromo-3-nitropyridin-2-yl)propanedioate
CAS Number: 1245563-09-0
Product Number: AG000M6O(AGN-PC-09PZRD)
Synonyms:
MDL No:
Molecular Formula: C10H9BrN2O6
Molecular Weight: 333.0923

Identification/Properties


Computed Properties
Molecular Weight:
333.094g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
5
Exact Mass:
331.964g/mol
Monoisotopic Mass:
331.964g/mol
Topological Polar Surface Area:
111A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
356
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:
H302-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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