Cas no 1608-46-4 (Benzene,1,2-diiodo-4-nitro-)
Benzene,1,2-diiodo-4-nitro- structure
Product Name:Benzene,1,2-diiodo-4-nitro-
CAS No:1608-46-4
MF:C6H3I2NO2
MW:374.902466058731
CID:219432
PubChem ID:222630
Update Time:2025-04-19
Benzene,1,2-diiodo-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,2-diiodo-4-nitro-
- 1,2-diiodo-4-nitrobenzene
- 1,2-Diiod-4-nitro-benzol
- 1,2-diiodo-4-nitro-benzene
- 1,2-Dijod-4-nitro-benzol
- 3,4-diiodonitrobenzene
- 4-Nitro-1,2-diiodobenzene
- AC1L5BYO
- AC1Q4PHR
- CTK4D0624
- KST-1B1423
- NSC9180
- SureCN3030993
- NSC-9180
- 1608-46-4
- SCHEMBL3030993
- NSC 9180
- DTXSID20278683
-
- Inchi： 1S/C6H3I2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
- InChI Key： FBLUCIWMGHTPJO-UHFFFAOYSA-N
- SMILES： IC1=C(C=CC(=C1)[N+](=O)[O-])I
Computed Properties
- Exact Mass: 374.82439
- Monoisotopic Mass: 374.82532g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 159
- 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: 3.5
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
- LogP: 3.32720
Benzene,1,2-diiodo-4-nitro- Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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