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88953-18-8 | Phenol, 4-[1-(4-hydroxy-3-iodophenyl)-1-methylethyl]-2,6-diiodo-
CAS No: 88953-18-8 Catalog No: AG0089R5 MDL No:
Product Description
Catalog Number:
AG0089R5
Chemical Name:
Phenol, 4-[1-(4-hydroxy-3-iodophenyl)-1-methylethyl]-2,6-diiodo-
CAS Number:
88953-18-8
Molecular Formula:
C15H13I3O2
Molecular Weight:
605.9759
IUPAC Name:
4-[2-(4-hydroxy-3-iodophenyl)propan-2-yl]-2,6-diiodophenol
InChI:
InChI=1S/C15H13I3O2/c1-15(2,8-3-4-13(19)10(16)5-8)9-6-11(17)14(20)12(18)7-9/h3-7,19-20H,1-2H3
InChI Key:
UVHXYIUQZSYHLO-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1I)C(c1cc(I)c(c(c1)I)O)(C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
605.805g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
605.98g/mol
Monoisotopic Mass:
605.805g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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