5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester


Chemical Name: 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester
CAS Number: 344-72-9
Product Number: AG003Q31(AGN-PC-0JL7Y6)
Synonyms:
MDL No:
Molecular Formula: C7H7F3N2O2S
Molecular Weight: 240.2029

Identification/Properties


Properties
MP:
170 °C
BP:
329.7 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
240.2g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
3
Exact Mass:
240.018g/mol
Monoisotopic Mass:
240.018g/mol
Topological Polar Surface Area:
93.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
249
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#:
-
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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