5-Bromo-2-methoxynicotinonitrile


Chemical Name: 5-Bromo-2-methoxynicotinonitrile
CAS Number: 941294-54-8
Product Number: AG005U84(AGN-PC-0WAB50)
Synonyms:
MDL No:
Molecular Formula: C7H5BrN2O
Molecular Weight: 213.0314

Identification/Properties


Properties
MP:
110-115°C
BP:
266.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
213.034g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
211.959g/mol
Monoisotopic Mass:
211.959g/mol
Topological Polar Surface Area:
45.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
177
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:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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