Cas no 98215-44-2 (5-bromo-3-Thiophenecarbonyl chloride)
98215-44-2 structure
Product Name:5-bromo-3-Thiophenecarbonyl chloride
CAS No:98215-44-2
MF:C5H2BrClOS
MW:225.490778446198
CID:2144940
PubChem ID:13418988
Update Time:2025-04-21
5-bromo-3-Thiophenecarbonyl chloride Chemical and Physical Properties
Names and Identifiers
-
- 5-bromo-3-Thiophenecarbonyl chloride
- 98215-44-2
- SCHEMBL2181763
- DB-317478
-
- Inchi： 1S/C5H2BrClOS/c6-4-1-3(2-9-4)5(7)8/h1-2H
- InChI Key： KIQKKXKCZHYNER-UHFFFAOYSA-N
- SMILES： BrC1=CC(C(=O)Cl)=CS1
Computed Properties
- Exact Mass: 223.87000
- Monoisotopic Mass: 223.86983Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 130
- 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: 3.1
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 45.31000
- LogP: 2.88960
5-bromo-3-Thiophenecarbonyl chloride Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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