Cas no 42436-11-3 (2,5-dimethoxy-4-nitrobenzonitrile)
42436-11-3 structure
Product Name:2,5-dimethoxy-4-nitrobenzonitrile
CAS No:42436-11-3
MF:C9H8N2O4
MW:208.170822143555
CID:928113
PubChem ID:20490964
Update Time:2025-04-19
2,5-dimethoxy-4-nitrobenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,5-dimethoxy-4-nitrobenzonitrile
- 42436-11-3
- DTXSID20608022
- SCHEMBL11163249
-
- MDL： MFCD00129830
- Inchi： 1S/C9H8N2O4/c1-14-8-4-7(11(12)13)9(15-2)3-6(8)5-10/h3-4H,1-2H3
- InChI Key： QFUORTWJXUMPEA-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C#N)C(=CC=1[N+](=O)[O-])OC
Computed Properties
- Exact Mass: 208.04840674g/mol
- Monoisotopic Mass: 208.04840674g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 280
- 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: 1.4
- Topological Polar Surface Area: 88.1?2
2,5-dimethoxy-4-nitrobenzonitrile Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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
42436-11-3 (2,5-dimethoxy-4-nitrobenzonitrile) Related Products
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