Cas no 87517-98-4 (Benzene, 1,1'-(1,2-ethanediyl)bis[2-methyl-4-nitro-)
87517-98-4 structure
Product Name:Benzene, 1,1'-(1,2-ethanediyl)bis[2-methyl-4-nitro-
CAS No:87517-98-4
MF:C16H16N2O4
MW:300.309244155884
CID:655568
PubChem ID:5143407
Update Time:2025-04-19
Benzene, 1,1'-(1,2-ethanediyl)bis[2-methyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-1-[2-(2-methyl-4-nitrophenyl)ethyl]-4-nitrobenzene
- DTXSID30408737
- 2,2'-Dimethyl-4,4'-dinitrobibenzyl
- DUSWUNUUPHBELH-UHFFFAOYSA-N
- 2,2'-dimethyl-4,4'-dinitro-bibenzyl
- AKOS024335100
- 87517-98-4
- Benzene, 1,1'-(1,2-ethanediyl)bis[2-methyl-4-nitro-
-
- Inchi： 1S/C16H16N2O4/c1-11-9-15(17(19)20)7-5-13(11)3-4-14-6-8-16(18(21)22)10-12(14)2/h5-10H,3-4H2,1-2H3
- InChI Key： DUSWUNUUPHBELH-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=C(C)C=1)CCC1C=CC(=CC=1C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 300.11100700g/mol
- 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
Benzene, 1,1'-(1,2-ethanediyl)bis[2-methyl-4-nitro- Related Literature
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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