ethyl 1-[4-(2,3,3-trichloroprop-2-enoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate


Chemical Name: ethyl 1-[4-(2,3,3-trichloroprop-2-enoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CAS Number: 1160514-60-2
Product Number: AG000BGZ(AGN-PC-0BL739)
Synonyms:
MDL No: MFCD00178741
Molecular Formula: C16H11Cl3F3N3O3
Molecular Weight: 456.6310

Identification/Properties


Computed Properties
Molecular Weight:
456.627g/mol
XLogP3:
4.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
6
Exact Mass:
454.982g/mol
Monoisotopic Mass:
454.982g/mol
Topological Polar Surface Area:
73.2A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
621
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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