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


Chemical Name: 3-Quinolinecarboxylic acid, 4-chloro-, ethyl ester
CAS Number: 13720-94-0
Product Number: AG0012XX(AGN-PC-0JO1FP)
Synonyms:
MDL No: MFCD00173407
Molecular Formula: C12H10ClNO2
Molecular Weight: 235.6663

Identification/Properties


Properties
MP:
46-48 °C
BP:
328.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
235.667g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
235.04g/mol
Monoisotopic Mass:
235.04g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
259
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:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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