3-Quinolinecarbonitrile, 4-bromo-6-methoxy-


Chemical Name: 3-Quinolinecarbonitrile, 4-bromo-6-methoxy-
CAS Number: 872714-52-8
Product Number: AG00IEGK(AGN-PC-086DNA)
Synonyms:
MDL No:
Molecular Formula: C11H7BrN2O
Molecular Weight: 263.0901

Identification/Properties


Computed Properties
Molecular Weight:
263.094g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
261.974g/mol
Monoisotopic Mass:
261.974g/mol
Topological Polar Surface Area:
45.9A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
275
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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