7-Quinolinecarboxylic acid, 4-chloro-, methyl ester


Chemical Name: 7-Quinolinecarboxylic acid, 4-chloro-, methyl ester
CAS Number: 178984-69-5
Product Number: AG0026NY(AGN-PC-03EVTZ)
Synonyms:
MDL No:
Molecular Formula: C11H8ClNO2
Molecular Weight: 221.6397

Identification/Properties


Computed Properties
Molecular Weight:
221.64g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
221.024g/mol
Monoisotopic Mass:
221.024g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
247
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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