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1477-04-9 | Benzeneacetic acid, 4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-, sodium salt (1:1)
CAS No: 1477-04-9 Catalog No: AG001F49 MDL No:
Product Description
Catalog Number:
AG001F49
Chemical Name:
Benzeneacetic acid, 4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-, sodium salt (1:1)
CAS Number:
1477-04-9
Molecular Formula:
C14H8I3NaO4
Molecular Weight:
643.9141
IUPAC Name:
sodium;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetate
InChI:
InChI=1S/C14H9I3O4.Na/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20;/h1-4,6,18H,5H2,(H,19,20);/q;+1/p-1
InChI Key:
BBBAIWCYEJXUMH-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O.[Na+]
EC Number:
216-025-7
UNII:
3HK9045D54
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
643.745g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
643.917g/mol
Monoisotopic Mass:
643.745g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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