5-Thiazolecarboxylic acid, 2-bromo-4-methyl-


Chemical Name: 5-Thiazolecarboxylic acid, 2-bromo-4-methyl-
CAS Number: 40003-41-6
Product Number: AG003GOQ(AGN-PC-0KLR3I)
Synonyms:
MDL No:
Molecular Formula: C5H4BrNO2S
Molecular Weight: 222.0598

Identification/Properties


Properties
MP:
158 °C (dec.)
BP:
349.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
222.056g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
220.915g/mol
Monoisotopic Mass:
220.915g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
155
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


NMR Spectrum


Other Analytical Data


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