5-BROMO-4-METHYL-2-THIAZOLECARBOXYLIC ACID


Chemical Name: 5-BROMO-4-METHYL-2-THIAZOLECARBOXYLIC ACID
CAS Number: 874509-45-2
Product Number: AG003MJJ(AGN-PC-02VFY8)
Synonyms:
MDL No:
Molecular Formula: C5H4BrNO2S
Molecular Weight: 222.0598

Identification/Properties


Properties
BP:
376°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-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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