Cas no 344332-15-6 (Benzene, 4-ethoxy-1,2-dinitro- (9CI))
344332-15-6 structure
Product Name:Benzene, 4-ethoxy-1,2-dinitro- (9CI)
CAS No:344332-15-6
MF:C8H8N2O5
MW:212.15952205658
CID:1022768
PubChem ID:12793693
Update Time:2025-04-20
Benzene, 4-ethoxy-1,2-dinitro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 4-ethoxy-1,2-dinitro- (9CI)
- 4-ethoxy-1,2-dinitrobenzene
- 344332-15-6
- DTXSID00510058
- AKOS030220443
- DB-285332
- 3,4-dinitrophenyl ethyl ether
- BENZENE, 4-ETHOXY-1,2-DINITRO-
- SCHEMBL6677275
-
- Inchi： 1S/C8H8N2O5/c1-2-15-6-3-4-7(9(11)12)8(5-6)10(13)14/h3-5H,2H2,1H3
- InChI Key： IAEHMOJGQYVUOX-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC(=C(C=1)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 212.04332136g/mol
- Monoisotopic Mass: 212.04332136g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 246
- 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: 1.9
- Topological Polar Surface Area: 101?2
Benzene, 4-ethoxy-1,2-dinitro- (9CI) Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
344332-15-6 (Benzene, 4-ethoxy-1,2-dinitro- (9CI)) Related Products
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