Cas no 69028-36-0 (Ethyl 3-bromo-5-nitrobenzoate)
Ethyl 3-bromo-5-nitrobenzoate structure
Product Name:Ethyl 3-bromo-5-nitrobenzoate
CAS No:69028-36-0
MF:C9H8BrNO4
MW:274.068121910095
CID:972949
Update Time:2023-08-02
Ethyl 3-bromo-5-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
-
- HYDROGENATED VEGETABLE GLYCERIDES
- Ethyl 3-bromo-5-nitrobenzoate
- Benzoic acid, 3-bromo-5-nitro-, ethyl ester
- PubChem18784
- ethyl 5-bromo-3-nitrobenzoate
- CL8512
- 3-bromo-5-nitro-benzoic acid ethyl ester
- BC004410
- SY007496
- AB0026263
- W7889
- 3-BROMO-5-NITROBENZOIC ACID ETHYL ESTER
-
- Inchi： 1S/C9H8BrNO4/c1-2-15-9(12)6-3-7(10)5-8(4-6)11(13)14/h3-5H,2H2,1H3
- InChI Key： PUBVWGDKFHIPRR-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=C(C(=O)OCC)C=1)[N+](=O)[O-]
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 253
- XLogP3: 3
- Topological Polar Surface Area: 72.1
Ethyl 3-bromo-5-nitrobenzoate Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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