2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid


Chemical Name: 2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid
CAS Number: 478030-66-9
Product Number: AG00E6Q7(AGN-PC-0KL21T)
Synonyms:
MDL No:
Molecular Formula: C12H8F3NO2S
Molecular Weight: 287.2576

Identification/Properties


Computed Properties
Molecular Weight:
287.256g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
287.023g/mol
Monoisotopic Mass:
287.023g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
337
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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