5-Thiazolecarboxylic acid, 2-chloro-4-(trifluoromethyl)-


Chemical Name: 5-Thiazolecarboxylic acid, 2-chloro-4-(trifluoromethyl)-
CAS Number: 72850-61-4
Product Number: AG005O4H(AGN-PC-00LUPI)
Synonyms:
MDL No:
Molecular Formula: C5HClF3NO2S
Molecular Weight: 231.5801

Identification/Properties


Properties
MP:
131-135℃(Solv: hexane (110-54-3); benzene (71-43-2))
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
231.573g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
230.937g/mol
Monoisotopic Mass:
230.937g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
224
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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