3-Quinolinecarbonitrile, 4-chloro-7-(3-chloropropoxy)-6-methoxy-


Chemical Name: 3-Quinolinecarbonitrile, 4-chloro-7-(3-chloropropoxy)-6-methoxy-
CAS Number: 214470-68-5
Product Number: AG00I45D(AGN-PC-004NGB)
Synonyms:
MDL No:
Molecular Formula: C14H12Cl2N2O2
Molecular Weight: 311.16328

Identification/Properties


Computed Properties
Molecular Weight:
311.162g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
310.028g/mol
Monoisotopic Mass:
310.028g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
360
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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