Cas no 62224-26-4 (2-Thiophenecarboxylic acid, 4,5-dibromo-, 1,1-dimethylethyl ester)
62224-26-4 structure
Product Name:2-Thiophenecarboxylic acid, 4,5-dibromo-, 1,1-dimethylethyl ester
CAS No:62224-26-4
MF:C9H10Br2O2S
MW:342.047500133514
CID:453693
PubChem ID:10736036
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 4,5-dibromo-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 4,5-dibromo-, 1,1-dimethylethyl ester
- tert-butyl 4,5-dibromothiophene-2-carboxylate
- 62224-26-4
- Tert-butyl4,5-dibromothiophene-2-carboxylate
- DTXSID40444186
- AKOS018720405
-
- Inchi： 1S/C9H10Br2O2S/c1-9(2,3)13-8(12)6-4-5(10)7(11)14-6/h4H,1-3H3
- InChI Key： BTJZDXNGGWDHJG-UHFFFAOYSA-N
- SMILES： BrC1=C(SC(=C1)C(=O)OC(C)(C)C)Br
Computed Properties
- Exact Mass: 339.8768
- Monoisotopic Mass: 339.87683g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 227
- 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: 4.5
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 26.3
2-Thiophenecarboxylic acid, 4,5-dibromo-, 1,1-dimethylethyl ester Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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