Cas no 236750-63-3 (4,5-diethoxy-2-nitrobenzonitrile)
236750-63-3 structure
Product Name:4,5-diethoxy-2-nitrobenzonitrile
CAS No:236750-63-3
MF:C11H12N2O4
MW:236.223982810974
CID:1415033
PubChem ID:1381990
Update Time:2025-04-20
4,5-diethoxy-2-nitrobenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4,5-diethoxy-2-nitrobenzonitrile
- SBB002453
- 4,5-diethoxy-2-nitrobenzenecarbonitrile
- ZERO/005011
- AC1LQSTV
- CTK6G0451
- MolPort-001-758-980
- STK776261
- ZINC01235055
- AKOS005618213
- SBB002453; 4,5-diethoxy-2-nitrobenzenecarbonitrile; ZERO/005011; AC1LQSTV; CTK6G0451; MolPort-001-758-980; STK776261; ZINC01235055; AKOS005618213;
- CS-0323924
- 236750-63-3
- DTXSID20362536
- Benzonitrile, 4,5-diethoxy-2-nitro-
-
- Inchi： 1S/C11H12N2O4/c1-3-16-10-5-8(7-12)9(13(14)15)6-11(10)17-4-2/h5-6H,3-4H2,1-2H3
- InChI Key： XJCCPKMYZZWRLS-UHFFFAOYSA-N
- SMILES： O(CC)C1C=C(C(C#N)=CC=1OCC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 236.07970687g/mol
- Monoisotopic Mass: 236.07970687g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 306
- 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: 2.1
- Topological Polar Surface Area: 88.1?2
4,5-diethoxy-2-nitrobenzonitrile Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
236750-63-3 (4,5-diethoxy-2-nitrobenzonitrile) Related Products
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