2-Quinoxalinecarboxylic acid, 3-chloro-, ethyl ester


Chemical Name: 2-Quinoxalinecarboxylic acid, 3-chloro-, ethyl ester
CAS Number: 49679-45-0
Product Number: AG003Q7I(AGN-PC-0NID0A)
Synonyms:
MDL No: MFCD09953512
Molecular Formula: C11H9ClN2O2
Molecular Weight: 236.6544

Identification/Properties


Properties
MP:
34-36°C
BP:
330.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
236.655g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
236.035g/mol
Monoisotopic Mass:
236.035g/mol
Topological Polar Surface Area:
52.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
262
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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