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2055-97-2 | Benzoic acid, 4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-
CAS No: 2055-97-2 Catalog No: AG002A4L MDL No:
Product Description
Catalog Number:
AG002A4L
Chemical Name:
Benzoic acid, 4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-
CAS Number:
2055-97-2
Molecular Formula:
C13H6I4O4
Molecular Weight:
733.8022
IUPAC Name:
4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzoic acid
InChI:
InChI=1S/C13H6I4O4/c14-7-3-6(4-8(15)11(7)18)21-12-9(16)1-5(13(19)20)2-10(12)17/h1-4,18H,(H,19,20)
InChI Key:
HKJUOMPYMPXLFS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O
UNII:
069P3V0KG2
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
733.644g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
733.805g/mol
Monoisotopic Mass:
733.644g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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