ethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate


Chemical Name: ethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CAS Number: 132089-32-8
Product Number: AG001063(AGN-PC-0KKPO0)
Synonyms:
MDL No:
Molecular Formula: C13H13NO2S
Molecular Weight: 247.3128

Identification/Properties


Computed Properties
Molecular Weight:
247.312g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
247.067g/mol
Monoisotopic Mass:
247.067g/mol
Topological Polar Surface Area:
67.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
264
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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