Cas no 53663-23-3 (1,2,3-triiodo-5-nitrobenzene)
1,2,3-triiodo-5-nitrobenzene structure
Product Name:1,2,3-triiodo-5-nitrobenzene
CAS No:53663-23-3
MF:C6H2I3NO2
MW:500.798998355865
CID:938909
PubChem ID:313510
Update Time:2025-04-19
1,2,3-triiodo-5-nitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-triiodo-5-nitrobenzene
- 1,2,3-triiodo-5-nitro-benzene
- 1,2,3-Trijod-5-nitro-benzol
- 1,2,3-tris(iodanyl)-5-nitro-benzene
- 3,4,5-Triiodonitrobenzene
- 3,4,5-Triiodonitrobenzol
- 3,4,5-trijodonitrobenzol
- 3.4.5-Triiod-1-nitro-benzol
- AC1L7NLG
- NSC227919
- SureCN8018399
- 53663-23-3
- 3,4,5-Trijodnitrobenzol
- NSC-227919
- 1,2,3-tri-iodo-5-nitrobenzene
- SCHEMBL8018399
- InChI=1/C6H2I3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2
- DTXSID00310510
- A829709
- AKOS015917308
-
- Inchi： 1S/C6H2I3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H
- InChI Key： FQHFOGCNEKGMQX-UHFFFAOYSA-N
- SMILES： IC1C(=C(C=C(C=1)[N+](=O)[O-])I)I
Computed Properties
- Exact Mass: 500.72056
- Monoisotopic Mass: 500.7220g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 172
- 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: 3.7
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
1,2,3-triiodo-5-nitrobenzene Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
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
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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