Cas no 832744-27-1 (Benzene, 1-[(4-bromophenyl)ethynyl]-3-chloro-)
![Benzene, 1-[(4-bromophenyl)ethynyl]-3-chloro- structure](https://ossimg.kuujia.com/scimg/833000/832744-27-1x500.png)
832744-27-1 structure
Product Name:Benzene, 1-[(4-bromophenyl)ethynyl]-3-chloro-
CAS No:832744-27-1
MF:C14H8BrCl
MW:291.570322036743
CID:673791
PubChem ID:71415711
Update Time:2025-04-19
Benzene, 1-[(4-bromophenyl)ethynyl]-3-chloro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-[(4-bromophenyl)ethynyl]-3-chloro-
- 1-bromo-4-[2-(3-chlorophenyl)ethynyl]benzene
- 1-[(4-Bromophenyl)ethynyl]-3-chlorobenzene
- DTXSID90835121
- 832744-27-1
-
- Inchi： 1S/C14H8BrCl/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-3,6-10H
- InChI Key： KSTPZKDCBWOTOZ-UHFFFAOYSA-N
- SMILES： BrC1C=CC(C#CC2C=CC=C(C=2)Cl)=CC=1
Computed Properties
- Exact Mass: 289.94979g/mol
- Monoisotopic Mass: 289.94979g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 280
- 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: 5.3
- Topological Polar Surface Area: 0?2
Benzene, 1-[(4-bromophenyl)ethynyl]-3-chloro- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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