Cas no 1369878-02-3 (4-Bromo-2-trifluoromethyl-1H-pyrrole)
1369878-02-3 structure
Product Name:4-Bromo-2-trifluoromethyl-1H-pyrrole
CAS No:1369878-02-3
MF:C5H3BrF3N
MW:213.983230829239
CID:2179885
Update Time:2023-08-06
4-Bromo-2-trifluoromethyl-1H-pyrrole Chemical and Physical Properties
Names and Identifiers
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- 4-Bromo-2-trifluoromethyl-1h-pyrrole
- 4-bromo-2-(trifluoromethyl)-1H-pyrrole
- 4-Bromo-2-trifluoromethyl-1H-pyrrole
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- Inchi： 1S/C5H3BrF3N/c6-3-1-4(10-2-3)5(7,8)9/h1-2,10H
- InChI Key： IJPQOTJVOPWQSW-UHFFFAOYSA-N
- SMILES： BrC1=CNC(C(F)(F)F)=C1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 125
- Topological Polar Surface Area: 15.8
4-Bromo-2-trifluoromethyl-1H-pyrrole Related Literature
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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