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89631-87-8 | Urea, N,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]-
CAS No: 89631-87-8 Catalog No: AG003WZG MDL No:
Product Description
Catalog Number:
AG003WZG
Chemical Name:
Urea, N,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]-
CAS Number:
89631-87-8
Molecular Formula:
C19H20I4N2O3
Molecular Weight:
831.9916
IUPAC Name:
1,3-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]urea
InChI:
InChI=1S/C19H20I4N2O3/c1-27-17-13(20)7-11(8-14(17)21)3-5-24-19(26)25-6-4-12-9-15(22)18(28-2)16(23)10-12/h7-10H,3-6H2,1-2H3,(H2,24,25,26)
InChI Key:
QXYZUQBRQKWPHI-UHFFFAOYSA-N
SMILES:
COc1c(I)cc(cc1I)CCNC(=O)NCCc1cc(I)c(c(c1)I)OC
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
831.765g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
831.998g/mol
Monoisotopic Mass:
831.765g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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