3-Pyridinecarboxylic acid, 5-bromo-2-methyl-, ethyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 5-bromo-2-methyl-, ethyl ester
CAS Number: 129477-21-0
Product Number: AG000Z5J(AGN-PC-003NNZ)
Synonyms:
MDL No:
Molecular Formula: C9H10BrNO2
Molecular Weight: 244.0852

Identification/Properties


Computed Properties
Molecular Weight:
244.088g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
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:
187
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:
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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