2-Pyridinecarboxylic acid, 3-bromo-4-methyl-5-nitro-, methyl ester


Chemical Name: 2-Pyridinecarboxylic acid, 3-bromo-4-methyl-5-nitro-, methyl ester
CAS Number: 1150618-07-7
Product Number: AG000FUE(AGN-PC-05VCBY)
Synonyms:
MDL No:
Molecular Formula: C8H7BrN2O4
Molecular Weight: 275.0562

Identification/Properties


Computed Properties
Molecular Weight:
275.058g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
273.959g/mol
Monoisotopic Mass:
273.959g/mol
Topological Polar Surface Area:
85A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
268
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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