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Home Halogens ethyl 4-(4-chlorophenyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxylate

ethyl 4-(4-chlorophenyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxylate

CAS No.:
162700-26-7
Catalog Number:
AG01DJW4
Molecular Formula:
C13H10ClF3N2O2
Molecular Weight:
318.6789
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Product Description
Catalog Number:
AG01DJW4
Chemical Name:
ethyl 4-(4-chlorophenyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxylate
CAS Number:
162700-26-7
Molecular Formula:
C13H10ClF3N2O2
Molecular Weight:
318.6789
MDL Number:
MFCD31652628
IUPAC Name:
ethyl 4-(4-chlorophenyl)-2-(trifluoromethyl)-1H-imidazole-5-carboxylate
InChI:
InChI=1S/C13H10ClF3N2O2/c1-2-21-11(20)10-9(7-3-5-8(14)6-4-7)18-12(19-10)13(15,16)17/h3-6H,2H2,1H3,(H,18,19)
InChI Key:
WIIRTYLITVYVQK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(nc1c1ccc(cc1)Cl)C(F)(F)F
Properties
Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.038g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
318.68g/mol
Monoisotopic Mass:
318.038g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties