Cas no 85078-26-8 (1,1'-(2-nitroethane-1,1-diyl)bis(4-methylbenzene))
85078-26-8 structure
Product Name:1,1'-(2-nitroethane-1,1-diyl)bis(4-methylbenzene)
CAS No:85078-26-8
MF:C16H17NO2
MW:255.311684370041
CID:1832419
PubChem ID:190064
Update Time:2025-04-21
1,1'-(2-nitroethane-1,1-diyl)bis(4-methylbenzene) Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-(2-nitroethane-1,1-diyl)bis(4-methylbenzene)
- 1-methyl-4-[1-(4-methylphenyl)-2-nitroethyl]benzene
- 85078-26-8
- Benzene, 1,1'-(2-nitroethylidene)bis(4-methyl-
- DTXSID50234156
-
- Inchi： 1S/C16H17NO2/c1-12-3-7-14(8-4-12)16(11-17(18)19)15-9-5-13(2)6-10-15/h3-10,16H,11H2,1-2H3
- InChI Key： UJXJGTJGQDRICC-UHFFFAOYSA-N
- SMILES： [O-][N+](CC(C1C=CC(C)=CC=1)C1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 255.125928785g/mol
- Monoisotopic Mass: 255.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 262
- 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: 4.2
- Topological Polar Surface Area: 45.8?2
1,1'-(2-nitroethane-1,1-diyl)bis(4-methylbenzene) Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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