ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate


Chemical Name: ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CAS Number: 160844-75-7
Product Number: AG001VEX(AGN-PC-0MV42Z)
Synonyms:
MDL No:
Molecular Formula: C18H20N2O3S
Molecular Weight: 344.4280

Identification/Properties


Computed Properties
Molecular Weight:
344.429g/mol
XLogP3:
4.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
7
Exact Mass:
344.119g/mol
Monoisotopic Mass:
344.119g/mol
Topological Polar Surface Area:
100A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
476
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:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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