methyl 5-bromo-6-cyanopyridine-2-carboxylate


Chemical Name: methyl 5-bromo-6-cyanopyridine-2-carboxylate
CAS Number: 959741-33-4
Product Number: AG006TR3(AGN-PC-0BSDEP)
Synonyms:
MDL No:
Molecular Formula: C8H5BrN2O2
Molecular Weight: 241.0415

Identification/Properties


Properties
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
241.044g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
239.953g/mol
Monoisotopic Mass:
239.953g/mol
Topological Polar Surface Area:
63A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
248
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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