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189156-57-8 | Benzoic acid, 3,5-diiodo-4-(4-propoxyphenoxy)-, methyl ester
CAS No: 189156-57-8 Catalog No: AG002HYQ MDL No:
Product Description
Catalog Number:
AG002HYQ
Chemical Name:
Benzoic acid, 3,5-diiodo-4-(4-propoxyphenoxy)-, methyl ester
CAS Number:
189156-57-8
Molecular Formula:
C17H16I2O4
Molecular Weight:
538.1155
IUPAC Name:
methyl 3,5-diiodo-4-(4-propoxyphenoxy)benzoate
InChI:
InChI=1S/C17H16I2O4/c1-3-8-22-12-4-6-13(7-5-12)23-16-14(18)9-11(10-15(16)19)17(20)21-2/h4-7,9-10H,3,8H2,1-2H3
InChI Key:
ZUCJNBTWAUQDBD-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)Oc1c(I)cc(cc1I)C(=O)OC
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
537.914g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
538.12g/mol
Monoisotopic Mass:
537.914g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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