4-Pyridineacetic acid, 3-bromo-, ethyl ester


Chemical Name: 4-Pyridineacetic acid, 3-bromo-, ethyl ester
CAS Number: 51054-99-0
Product Number: AG003Q1K(AGN-PC-00OW7M)
Synonyms:
MDL No:
Molecular Formula: C9H10BrNO2
Molecular Weight: 244.0852

Identification/Properties


Properties
BP:
296.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
244.088g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
242.989g/mol
Monoisotopic Mass:
242.989g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
175
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:
Danger
UN#:
1993
Hazard Statements:
H226-H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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