3-Quinolinecarboxylic acid, 4,8-dichloro-, ethyl ester


Chemical Name: 3-Quinolinecarboxylic acid, 4,8-dichloro-, ethyl ester
CAS Number: 56824-91-0
Product Number: AG00EJ3X(AGN-PC-0JVK5T)
Synonyms:
MDL No:
Molecular Formula: C12H9Cl2NO2
Molecular Weight: 270.1114

Identification/Properties


Computed Properties
Molecular Weight:
270.109g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
269.001g/mol
Monoisotopic Mass:
269.001g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
288
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:
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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