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956779-56-9 | ethyl 1-(4-[1,1'-biphenyl]-4-yl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CAS No: 956779-56-9 Catalog No: AG01FOQY MDL No:
Product Description
Catalog Number:
AG01FOQY
Chemical Name:
ethyl 1-(4-[1,1'-biphenyl]-4-yl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CAS Number:
956779-56-9
IUPAC Name:
ethyl 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C22H16F3N3O2S/c1-2-30-20(29)17-12-26-28(19(17)22(23,24)25)21-27-18(13-31-21)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,2H2,1H3
InChI Key:
NQGSJOMVWAYGBG-UHFFFAOYSA-N
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.092g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.444g/mol
Monoisotopic Mass:
443.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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