Cas no 16363-80-7 (2,5-Thiophenedicarboxaldehyde, 3-bromo-)
16363-80-7 structure
Product Name:2,5-Thiophenedicarboxaldehyde, 3-bromo-
CAS No:16363-80-7
MF:C6H3BrO2S
MW:219.055819749832
CID:2842512
PubChem ID:70702382
Update Time:2024-03-01
2,5-Thiophenedicarboxaldehyde, 3-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Thiophenedicarboxaldehyde, 3-bromo-
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- Inchi： 1S/C6H3BrO2S/c7-5-1-4(2-8)10-6(5)3-9/h1-3H
- InChI Key： PVOKLAABZAVIJU-UHFFFAOYSA-N
- SMILES： C1(C=O)SC(C=O)=CC=1Br
Computed Properties
- Exact Mass: 217.90371g/mol
- Monoisotopic Mass: 217.90371g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 151
- 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: 1.9
- Topological Polar Surface Area: 62.4?2
2,5-Thiophenedicarboxaldehyde, 3-bromo- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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