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113855-58-6 | Phenol, 4-(2,4-diiodophenoxy)-
CAS No: 113855-58-6 Catalog No: AG0009XE MDL No:
Product Description
Catalog Number:
AG0009XE
Chemical Name:
Phenol, 4-(2,4-diiodophenoxy)-
CAS Number:
113855-58-6
Molecular Formula:
C12H8I2O2
Molecular Weight:
437.9997
IUPAC Name:
4-(2,4-diiodophenoxy)phenol
InChI:
InChI=1S/C12H8I2O2/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7,15H
InChI Key:
ATOUCMHBQYNBCY-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Oc1ccc(cc1I)I
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.861g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.003g/mol
Monoisotopic Mass:
437.861g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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