Cas no 22609-37-6 (2-Propen-1-one,1-(4-bromophenyl)-3-(5-bromo-2-thienyl)-)
22609-37-6 structure
Product Name:2-Propen-1-one,1-(4-bromophenyl)-3-(5-bromo-2-thienyl)-
CAS No:22609-37-6
MF:C13H8Br2OS
MW:372.0750207901
CID:287031
PubChem ID:5356329
Update Time:2025-04-19
2-Propen-1-one,1-(4-bromophenyl)-3-(5-bromo-2-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propen-1-one,1-(4-bromophenyl)-3-(5-bromo-2-thienyl)-
- (E)-1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-en-1-one
- AC1NS8YU
- NSC54866
- NSC-54866
- T5766943
- Z46028260
- 22609-37-6
- DTXSID20418103
- AB00766340-01
-
- Inchi： 1S/C13H8Br2OS/c14-10-3-1-9(2-4-10)12(16)7-5-11-6-8-13(15)17-11/h1-8H/b7-5+
- InChI Key： DWCAOUVYCSQOSV-FNORWQNLSA-N
- SMILES： BrC1C=CC(=CC=1)C(/C=C/C1=CC=C(S1)Br)=O
Computed Properties
- Exact Mass: 369.86624
- Monoisotopic Mass: 369.86626g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 298
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.1
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 17.07
- LogP: 5.16920
2-Propen-1-one,1-(4-bromophenyl)-3-(5-bromo-2-thienyl)- Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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