3-Quinolinecarbonitrile, 2-chloro-7-methoxy-


Chemical Name: 3-Quinolinecarbonitrile, 2-chloro-7-methoxy-
CAS Number: 128259-63-2
Product Number: AG000XX6(AGN-PC-0O0UWI)
Synonyms:
MDL No:
Molecular Formula: C11H7ClN2O
Molecular Weight: 218.6391

Identification/Properties


Computed Properties
Molecular Weight:
218.64g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
218.025g/mol
Monoisotopic Mass:
218.025g/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:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H318
Precautionary Statements:
P280-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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