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


Chemical Name: 5-Thiazolecarboxylic acid, 2-chloro-4-(trifluoromethyl)-, ethyl ester
CAS Number: 72850-52-3
Product Number: AG00FBA9(AGN-PC-0K2DOG)
Synonyms:
MDL No:
Molecular Formula: C7H5ClF3NO2S
Molecular Weight: 259.6333

Identification/Properties


Computed Properties
Molecular Weight:
259.627g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
258.968g/mol
Monoisotopic Mass:
258.968g/mol
Topological Polar Surface Area:
67.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
251
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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