Cas no 59823-93-7 (Benzene, 1,1'-(1,2-ethanediyl)bis[2-methyl-6-nitro-)
59823-93-7 structure
Product Name:Benzene, 1,1'-(1,2-ethanediyl)bis[2-methyl-6-nitro-
CAS No:59823-93-7
MF:C16H16N2O4
MW:300.309244155884
CID:337200
PubChem ID:22889233
Update Time:2025-04-19
Benzene, 1,1'-(1,2-ethanediyl)bis[2-methyl-6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-2-[2-(2-methyl-6-nitrophenyl)ethyl]-3-nitrobenzene
- DTXSID50628753
- 1,1'-(Ethane-1,2-diyl)bis(2-methyl-6-nitrobenzene)
- 59823-93-7
- SCHEMBL10106284
- Benzene, 1,1'-(1,2-ethanediyl)bis[2-methyl-6-nitro-
-
- Inchi： 1S/C16H16N2O4/c1-11-5-3-7-15(17(19)20)13(11)9-10-14-12(2)6-4-8-16(14)18(21)22/h3-8H,9-10H2,1-2H3
- InChI Key： NITOQMTYNAIZSE-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=CC(C)=C1CCC1C(=CC=CC=1C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 300.11108
- Monoisotopic Mass: 300.11100700g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 366
- 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: 91.6?2
Experimental Properties
- PSA: 86.28
Benzene, 1,1'-(1,2-ethanediyl)bis[2-methyl-6-nitro- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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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