Cas no 54291-88-2 (Benzeneacetic acid, 3,5-diiodo-4-(4-methoxyphenoxy)-, methyl ester)
54291-88-2 structure
Product Name:Benzeneacetic acid, 3,5-diiodo-4-(4-methoxyphenoxy)-, methyl ester
CAS No:54291-88-2
MF:C16H14I2O4
MW:524.088909626007
CID:354969
PubChem ID:487826
Update Time:2025-04-19
Benzeneacetic acid, 3,5-diiodo-4-(4-methoxyphenoxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 3,5-diiodo-4-(4-methoxyphenoxy)-, methyl ester
- methyl 2-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]acetate
- 54291-88-2
- RGDSRZRUEBFBSE-UHFFFAOYSA-N
- SCHEMBL5742498
- methyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)phenyl)acetate
- DTXSID70333170
- methyl 4-(4-methoxyphenoxy)-3,5-diiodophenylacetate
-
- Inchi： 1S/C16H14I2O4/c1-20-11-3-5-12(6-4-11)22-16-13(17)7-10(8-14(16)18)9-15(19)21-2/h3-8H,9H2,1-2H3
- InChI Key： RGDSRZRUEBFBSE-UHFFFAOYSA-N
- SMILES： IC1C=C(C=C(C=1OC1C=CC(=CC=1)OC)I)CC(=O)OC
Computed Properties
- Exact Mass: 523.89722
- Monoisotopic Mass: 523.89815g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 346
- 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: 4.5
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
Benzeneacetic acid, 3,5-diiodo-4-(4-methoxyphenoxy)-, methyl ester Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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