2-Pyridinecarboxylic acid, 5-bromo-, 1,1-dimethylethyl ester


Chemical Name: 2-Pyridinecarboxylic acid, 5-bromo-, 1,1-dimethylethyl ester
CAS Number: 845306-08-3
Product Number: AG008HVE(AGN-PC-04VH1J)
Synonyms:
MDL No: MFCD08436052
Molecular Formula: C10H12BrNO2
Molecular Weight: 258.1118

Identification/Properties


Computed Properties
Molecular Weight:
258.115g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
257.005g/mol
Monoisotopic Mass:
257.005g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
213
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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