Cas no 62224-15-1 (2-Thiophenecarboxylic acid, 3-bromo-, 1,1-dimethylethyl ester)
62224-15-1 structure
Product Name:2-Thiophenecarboxylic acid, 3-bromo-, 1,1-dimethylethyl ester
CAS No:62224-15-1
MF:C9H11BrO2S
MW:263.151440858841
CID:453701
PubChem ID:63896830
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 3-bromo-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 3-bromo-, 1,1-dimethylethyl ester
- tert-butyl 3-bromothiophene-2-carboxylate
- DTXSID60734672
- SCHEMBL5725289
- AKOS013211243
- 62224-15-1
-
- Inchi： 1S/C9H11BrO2S/c1-9(2,3)12-8(11)7-6(10)4-5-13-7/h4-5H,1-3H3
- InChI Key： XCRPPRHDXKKLEK-UHFFFAOYSA-N
- SMILES： BrC1C=CSC=1C(=O)OC(C)(C)C
Computed Properties
- Exact Mass: 261.96633
- Monoisotopic Mass: 261.96631g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 200
- 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: 3.5
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 26.3
2-Thiophenecarboxylic acid, 3-bromo-, 1,1-dimethylethyl ester Related Literature
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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
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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