Cas no 2422-22-2 (Benzenebutanoic acid,4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-)
2422-22-2 structure
Product Name:Benzenebutanoic acid,4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-
CAS No:2422-22-2
MF:C16H12I4O4
MW:775.881974220276
CID:283525
PubChem ID:22931413
Update Time:2025-04-19
Benzenebutanoic acid,4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo- Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanoic acid,4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-
- 3,5,3',5'-Tetraiodothyrobutyric acid
- Butyricacid, 4-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]- (6CI,7CI,8CI)
- Tetrabut
- Tetraiodothyrobutyric acid
- 2422-22-2
- SCHEMBL6825994
- 4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzenebutanoic acid
- DTXSID101178817
-
- Inchi： 1S/C16H12I4O4/c17-10-6-9(7-11(18)15(10)23)24-16-12(19)4-8(5-13(16)20)2-1-3-14(21)22/h4-7,23H,1-3H2,(H,21,22)
- InChI Key： KYTPOANXYXEDHZ-UHFFFAOYSA-N
- SMILES： IC1C(=C(C=C(C=1)CCCC(=O)O)I)OC1C=C(C(=C(C=1)I)O)I
Computed Properties
- Exact Mass: 775.68956
- Monoisotopic Mass: 775.6914g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 401
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.8
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
Benzenebutanoic acid,4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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