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189156-55-6 | Benzoic acid, 4-(4-ethoxyphenoxy)-3,5-diiodo-, methyl ester
CAS No: 189156-55-6 Catalog No: AG002HYR MDL No:
Product Description
Catalog Number:
AG002HYR
Chemical Name:
Benzoic acid, 4-(4-ethoxyphenoxy)-3,5-diiodo-, methyl ester
CAS Number:
189156-55-6
Molecular Formula:
C16H14I2O4
Molecular Weight:
524.0889
IUPAC Name:
methyl 4-(4-ethoxyphenoxy)-3,5-diiodobenzoate
InChI:
InChI=1S/C16H14I2O4/c1-3-21-11-4-6-12(7-5-11)22-15-13(17)8-10(9-14(15)18)16(19)20-2/h4-9H,3H2,1-2H3
InChI Key:
GJQXTBPHNFSWSF-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)Oc1c(I)cc(cc1I)C(=O)OC
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
523.898g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
524.093g/mol
Monoisotopic Mass:
523.898g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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