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


Chemical Name: 4-Thiazolecarboxylic acid, 2-amino-5-bromo-, methyl ester
CAS Number: 850429-60-6
Product Number: AG003RMX(AGN-PC-0KKPDA)
Synonyms:
MDL No: MFCD00137990
Molecular Formula: C5H5BrN2O2S
Molecular Weight: 237.0744

Identification/Properties


Properties
MP:
157-159 °C
BP:
349.3 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
237.071g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
235.926g/mol
Monoisotopic Mass:
235.926g/mol
Topological Polar Surface Area:
93.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
169
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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