Cas no 102871-92-1 (4-Ethoxy-1-methyl-2-nitrobenzene)
102871-92-1 structure
Product Name:4-Ethoxy-1-methyl-2-nitrobenzene
CAS No:102871-92-1
MF:C9H11NO3
MW:181.188542604446
CID:1082973
PubChem ID:350366
Update Time:2025-04-20
4-Ethoxy-1-methyl-2-nitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 4-Ethoxy-1-methyl-2-nitrobenzene
- 2-Nitro-4-ethoxytoluol
- 4-Ethoxy-2-nitrotoluene
- 4-methyl-3-nitro-phenetole
- AC1L6W4H
- AC1Q1YE0
- ACMC-20m5tu
- Benzene, 4-ethoxy-1-methyl-2-nitro-
- CTK0G7353
- NSC509556
- o-Nitro-p-kresol-ethylether
- SureCN3721960
- DTXSID20325525
- DA-39468
- DMMYNNHVBWPYKG-UHFFFAOYSA-N
- 4-Ethoxy-1-methyl-2-nitro-benzene
- 102871-92-1
- NSC-509556
- SCHEMBL3721960
-
- Inchi： 1S/C9H11NO3/c1-3-13-8-5-4-7(2)9(6-8)10(11)12/h4-6H,3H2,1-2H3
- InChI Key： DMMYNNHVBWPYKG-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC(C)=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 181.07393
- Monoisotopic Mass: 181.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 178
- 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: 2.8
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 52.37
- LogP: 2.82510
4-Ethoxy-1-methyl-2-nitrobenzene Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
102871-92-1 (4-Ethoxy-1-methyl-2-nitrobenzene) Related Products
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