3-Pyridinecarbonitrile, 5-bromo-2-methoxy-4,6-dimethyl-


Chemical Name: 3-Pyridinecarbonitrile, 5-bromo-2-methoxy-4,6-dimethyl-
CAS Number: 113893-02-0
Product Number: AG000A0B(AGN-PC-0K5S2J)
Synonyms:
MDL No: MFCD03787138
Molecular Formula: C9H9BrN2O
Molecular Weight: 241.0846

Identification/Properties


Computed Properties
Molecular Weight:
241.088g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
239.99g/mol
Monoisotopic Mass:
239.99g/mol
Topological Polar Surface Area:
45.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
225
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-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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