Cas no 96631-28-6 (Benzene,2,4-diethoxy-1-nitro-)
Benzene,2,4-diethoxy-1-nitro- structure
Product Name:Benzene,2,4-diethoxy-1-nitro-
CAS No:96631-28-6
MF:C10H13NO4
MW:211.214523077011
CID:800475
PubChem ID:13355369
Update Time:2025-04-19
Benzene,2,4-diethoxy-1-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,2,4-diethoxy-1-nitro-
- 2,4-diethoxy-1-nitrobenzene
- Benzene, 2,4-diethoxy-1-nitro- (9CI)
- 96631-28-6
- A845622
- 2,4-diethoxy-1-nitro-benzene
- DTXSID10538081
-
- Inchi： 1S/C10H13NO4/c1-3-14-8-5-6-9(11(12)13)10(7-8)15-4-2/h5-7H,3-4H2,1-2H3
- InChI Key： PPYXWVQHNXBQND-UHFFFAOYSA-N
- SMILES： O(CC)C1C=C(C=CC=1[N+](=O)[O-])OCC
Computed Properties
- Exact Mass: 211.08445790g/mol
- Monoisotopic Mass: 211.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 204
- 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: 2
- Topological Polar Surface Area: 64.3?2
Benzene,2,4-diethoxy-1-nitro- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
96631-28-6 (Benzene,2,4-diethoxy-1-nitro-) Related Products
- 13350-09-9(1-Nitro-2-(prop-2-yn-1-yloxy)benzene)
- 119-23-3(2,5-Diethoxynitrobenzene)
- 28987-44-2(2-Ethoxy-4-fluoro-1-nitrobenzene)
- 4920-84-7(2,4-Dimethoxy-1-nitrobenzene)
- 135-15-9(1,4-Dibutoxy-2-nitrobenzene)
- 122329-02-6(1-Nitro-2-(tetradecyloxy)benzene)
- 37682-29-4(2-Nitrophenyl octyl ether)
- 14227-18-0(1,3,5-Trimethoxy-2-nitrobenzene)
- 16292-95-8(3-Methoxy-4-nitrophenol)
- 16365-25-6(2-(2-nitrophenoxy)ethan-1-ol)
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