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


Chemical Name: 3-Quinolinecarboxylic acid, 6-bromo-4-hydroxy-, ethyl ester
CAS Number: 122794-99-4
Product Number: AG000JHT(AGN-PC-0O0HM7)
Synonyms:
MDL No: MFCD00173362
Molecular Formula: C12H10BrNO3
Molecular Weight: 296.1167

Identification/Properties


Computed Properties
Molecular Weight:
296.12g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
294.984g/mol
Monoisotopic Mass:
294.984g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
367
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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