Cas no 846023-26-5 (1-Ethoxy-2-iodo-4-nitrobenzene)
846023-26-5 structure
Product Name:1-Ethoxy-2-iodo-4-nitrobenzene
CAS No:846023-26-5
MF:C8H8INO3
MW:293.058494567871
CID:2805483
PubChem ID:57419508
Update Time:2025-04-21
1-Ethoxy-2-iodo-4-nitrobenzene Chemical and Physical Properties
Names and Identifiers
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- 846023-26-5
- BZKMOSFWSDZMIZ-UHFFFAOYSA-N
- 1-Ethoxy-2-iodo-4nitrobenzene
- SCHEMBL4962536
- DTXSID30726286
- 1-Ethoxy-2-iodo-4-nitrobenzene
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- Inchi： 1S/C8H8INO3/c1-2-13-8-4-3-6(10(11)12)5-7(8)9/h3-5H,2H2,1H3
- InChI Key： BZKMOSFWSDZMIZ-UHFFFAOYSA-N
- SMILES： IC1C=C(C=CC=1OCC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 292.95489g/mol
- Monoisotopic Mass: 292.95489g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 183
- 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: 2.7
- Topological Polar Surface Area: 55?2
1-Ethoxy-2-iodo-4-nitrobenzene Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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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
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