3-Quinolinecarboxylic acid, 6-bromo-4-chloro-, ethyl ester


Chemical Name: 3-Quinolinecarboxylic acid, 6-bromo-4-chloro-, ethyl ester
CAS Number: 206257-39-8
Product Number: AG002IDV(AGN-PC-0KKQ0Y)
Synonyms:
MDL No:
Molecular Formula: C12H9BrClNO2
Molecular Weight: 314.5624

Identification/Properties


Computed Properties
Molecular Weight:
314.563g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
312.951g/mol
Monoisotopic Mass:
312.951g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
290
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#:
-
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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