Cas no 66166-40-3 (4-nitro-2-phenyliodoniophenolate)
66166-40-3 structure
Product Name:4-nitro-2-phenyliodoniophenolate
CAS No:66166-40-3
MF:C12H8INO3
MW:341.101295471191
CID:963407
PubChem ID:13429610
Update Time:2025-04-19
4-nitro-2-phenyliodoniophenolate Chemical and Physical Properties
Names and Identifiers
-
- 4-nitro-2-phenyliodoniophenolate
- 4-Nitro-2-(phenyliodaniumyl)phenolate
- NSC-304445
- NSC304445
- DTXSID80540555
- 66166-40-3
-
- Inchi： 1S/C12H8INO3/c15-12-7-6-10(14(16)17)8-11(12)13-9-4-2-1-3-5-9/h1-8H
- InChI Key： DALXJYBBNMDFOZ-UHFFFAOYSA-N
- SMILES： [I+](C1C=CC=CC=1)C1C(=CC=C(C=1)[N+](=O)[O-])[O-]
Computed Properties
- Exact Mass: 340.95444
- Monoisotopic Mass: 340.95489g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 263
- 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: 68.9?2
Experimental Properties
- PSA: 66.2
4-nitro-2-phenyliodoniophenolate Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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