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Home Halogens 1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(3-(4-cyanophenoxy)phenyl)urea

1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(3-(4-cyanophenoxy)phenyl)urea

CAS No.:
1400989-25-4
Catalog Number:
AG01BRZJ
Molecular Formula:
C21H13ClF3N3O2
Molecular Weight:
431.7950
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Product Description
Catalog Number:
AG01BRZJ
Chemical Name:
1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(3-(4-cyanophenoxy)phenyl)urea
CAS Number:
1400989-25-4
Molecular Formula:
C21H13ClF3N3O2
Molecular Weight:
431.7950
IUPAC Name:
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(4-cyanophenoxy)phenyl]urea
InChI:
InChI=1S/C21H13ClF3N3O2/c22-19-9-6-15(11-18(19)21(23,24)25)28-20(29)27-14-2-1-3-17(10-14)30-16-7-4-13(12-26)5-8-16/h1-11H,(H2,27,28,29)
InChI Key:
QIBWSQJZKMUZAK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Oc1cccc(c1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
631  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.065g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
431.799g/mol
Monoisotopic Mass:
431.065g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6  
Literature
Title Journal
Blockade of STAT3 activation by sorafenib derivatives through enhancing SHP-1 phosphatase activity. European journal of medicinal chemistry 20120901
Properties