Cas no 832744-39-5 (Benzene, 1-[(4-bromophenyl)ethynyl]-3-(phenylethynyl)-)
![Benzene, 1-[(4-bromophenyl)ethynyl]-3-(phenylethynyl)- structure](https://ossimg.kuujia.com/scimg/833000/832744-39-5x500.png)
832744-39-5 structure
Product Name:Benzene, 1-[(4-bromophenyl)ethynyl]-3-(phenylethynyl)-
CAS No:832744-39-5
MF:C22H13Br
MW:357.242624998093
CID:673779
PubChem ID:12012596
Update Time:2025-04-19
Benzene, 1-[(4-bromophenyl)ethynyl]-3-(phenylethynyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-[(4-bromophenyl)ethynyl]-3-(phenylethynyl)-
- 1-bromo-4-[2-[3-(2-phenylethynyl)phenyl]ethynyl]benzene
- DTXSID00475810
- 832744-39-5
-
- Inchi： 1S/C22H13Br/c23-22-15-13-19(14-16-22)10-12-21-8-4-7-20(17-21)11-9-18-5-2-1-3-6-18/h1-8,13-17H
- InChI Key： NYQGUDKGHPAXEF-UHFFFAOYSA-N
- SMILES： BrC1C=CC(C#CC2C=CC=C(C#CC3C=CC=CC=3)C=2)=CC=1
Computed Properties
- Exact Mass: 356.02006g/mol
- Monoisotopic Mass: 356.02006g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 493
- 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: 6.7
- Topological Polar Surface Area: 0?2
Benzene, 1-[(4-bromophenyl)ethynyl]-3-(phenylethynyl)- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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