1-[2-(3-Iodophenoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

Update Time: 2025-04-25 16:33:36

	Common Name	1-[2-(3-Iodophenoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea	English Name	1-[2-(3-Iodophenoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
	CAS NO.	N/A	Molecular Weight	514.2
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₀H₁₄F₃IN₂O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	1-[2-(3-Iodophenoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

Molecular Formula	C20H14F3IN2O3
Molecular Weight	514.2
Exact Mass	514.00012
LogP	5.80
Standard SMILES	O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1Oc1cccc(I)c1
Canonical SMILES	C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)OC3=CC(=CC=C3)I
Isomeric SMILES	C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)OC3=CC(=CC=C3)I
Standard InChI Identifier	InChI=1S/C20H14F3IN2O3/c21-20(22,23)29-15-10-8-14(9-11-15)25-19(27)26-17-6-1-2-7-18(17)28-16-5-3-4-13(24)12-16/h1-12H,(H2,25,26,27)
Standard InChI Key	KJNBIHWNIKYUSK-UHFFFAOYSA-N
Compound Complexity	530.00
computational chemistry	Hydrogen Bond Acceptor Count：6 Hydrogen Bond Donor Count：2 Rotatable Bond Count：5 Heavy Atom Count：29 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：0 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：514.00012