3-Pyridinecarboxylic acid, 6-bromo-, methyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 6-bromo-, methyl ester
CAS Number: 26218-78-0
Product Number: AG002SB4(AGN-PC-00M6G4)
Synonyms:
MDL No: MFCD04972371
Molecular Formula: C7H6BrNO2
Molecular Weight: 216.0320

Identification/Properties


Properties
MP:
106 - 108 °C
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
216.034g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
214.958g/mol
Monoisotopic Mass:
214.958g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
151
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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