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117333-18-3 | Dibenzo[b,e][1,4]dioxin, 2,3-dibromo-7-iodo-
CAS No: 117333-18-3 Catalog No: AG000E4T MDL No:
Product Description
Catalog Number:
AG000E4T
Chemical Name:
Dibenzo[b,e][1,4]dioxin, 2,3-dibromo-7-iodo-
CAS Number:
117333-18-3
Molecular Formula:
C12H5Br2IO2
Molecular Weight:
467.8794
IUPAC Name:
2,3-dibromo-7-iododibenzo-p-dioxin
InChI:
InChI=1S/C12H5Br2IO2/c13-7-4-11-12(5-8(7)14)17-10-3-6(15)1-2-9(10)16-11/h1-5H
InChI Key:
SGBICHSMBOYOFD-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)Oc1c(O2)cc(c(c1)Br)Br
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.768g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
467.882g/mol
Monoisotopic Mass:
465.77g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Ligand selectivity and gene regulation by the human aryl hydrocarbon receptor in transgenic mice. | Molecular pharmacology 20090601 |
| 2,3,7,8-Tetrachlorodibenzo-p-dioxin-inducible, Ah receptor-mediated bending of enhancer DNA. | The Journal of biological chemistry 19900405 |
| A competitive binding assay for 2,3,7,8-tetrachlorodibenzo-p-dioxin and related ligands of the Ah receptor. | Molecular pharmacology 19881101 |
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