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116584-25-9 | Urea, N,N,N',N'-tetrakis[[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-
CAS No: 116584-25-9 Catalog No: AG000CTN MDL No:
Product Description
Catalog Number:
AG000CTN
Chemical Name:
Urea, N,N,N',N'-tetrakis[[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-
CAS Number:
116584-25-9
Molecular Formula:
C33H32Cl4N2O9
Molecular Weight:
742.4272
IUPAC Name:
1,1,3,3-tetrakis[[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]urea
InChI:
InChI=1S/C33H32Cl4N2O9/c34-25-1-17(29(44)21(5-25)13-40)9-38(10-18-2-26(35)6-22(14-41)30(18)45)33(48)39(11-19-3-27(36)7-23(15-42)31(19)46)12-20-4-28(37)8-24(16-43)32(20)47/h1-8,40-47H,9-16H2
InChI Key:
MINGQLSBCJBEBK-UHFFFAOYSA-N
SMILES:
OCc1cc(Cl)cc(c1O)CN(C(=O)N(Cc1cc(Cl)cc(c1O)CO)Cc1cc(Cl)cc(c1O)CO)Cc1cc(Cl)cc(c1O)CO
Properties
Complexity:
867
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
742.083g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
742.424g/mol
Monoisotopic Mass:
740.086g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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