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


Chemical Name: 4-Thiazolecarboxylic acid, 2-amino-5-bromo-, ethyl ester
CAS Number: 61830-21-5
Product Number: AG00IAXB(AGN-PC-0K32A3)
Synonyms:
MDL No: MFCD06669909
Molecular Formula: C6H7BrN2O2S
Molecular Weight: 251.1010

Identification/Properties


Properties
MP:
115 - 117 °C
BP:
357°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
251.098g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
249.941g/mol
Monoisotopic Mass:
249.941g/mol
Topological Polar Surface Area:
93.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
181
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:
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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