Cas no 66166-41-4 ( )
structure
Product Name:
CAS No:66166-41-4
MF:C15H13IO3
MW:368.166396856308
CID:963408
PubChem ID:24198739
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-ethoxycarbonyl-2-phenyliodoniophenolate
- 66166-41-4
- NSC304446
- 4-(Ethoxycarbonyl)-2-(phenyliodaniumyl)phenolate
- NSC-304446
- DTXSID40639176
-
-
- Inchi： 1S/C15H13IO3/c1-2-19-15(18)11-8-9-14(17)13(10-11)16-12-6-4-3-5-7-12/h3-10H,2H2,1H3
- InChI Key： QEYPHFIDZLLCFF-UHFFFAOYSA-N
- SMILES： [I+](C1C=CC=CC=1)C1=C(C=CC(C(=O)OCC)=C1)[O-]
Computed Properties
- Exact Mass: 367.99094g/mol
- Monoisotopic Mass: 367.99094g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 289
- 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: 4.9
- Topological Polar Surface Area: 49.4?2
Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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