4-Thiazolecarboxylic acid, 5-bromo-


Chemical Name: 4-Thiazolecarboxylic acid, 5-bromo-
CAS Number: 103878-58-6
Product Number: AG003ML3(AGN-PC-0388X1)
Synonyms:
MDL No: MFCD08275714
Molecular Formula: C4H2BrNO2S
Molecular Weight: 208.0332

Identification/Properties


Properties
BP:
367.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
208.029g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
206.899g/mol
Monoisotopic Mass:
206.899g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
132
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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