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88953-19-9 | Phenol, 4-[1-(4-hydroxyphenyl)-1-methylethyl]-2,6-diiodo-
CAS No: 88953-19-9 Catalog No: AG0089R4 MDL No:
Product Description
Catalog Number:
AG0089R4
Chemical Name:
Phenol, 4-[1-(4-hydroxyphenyl)-1-methylethyl]-2,6-diiodo-
CAS Number:
88953-19-9
Molecular Formula:
C15H14I2O2
Molecular Weight:
480.0794
IUPAC Name:
4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-diiodophenol
InChI:
InChI=1S/C15H14I2O2/c1-15(2,9-3-5-11(18)6-4-9)10-7-12(16)14(19)13(17)8-10/h3-8,18-19H,1-2H3
InChI Key:
UPAZXNFDEILMGJ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(c1cc(I)c(c(c1)I)O)(C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.908g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
480.084g/mol
Monoisotopic Mass:
479.908g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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