Cas no 832744-45-3 (Benzene, 1-[(4-chlorophenyl)ethynyl]-3-(phenylethynyl)-)
![Benzene, 1-[(4-chlorophenyl)ethynyl]-3-(phenylethynyl)- structure](https://ossimg.kuujia.com/scimg/833000/832744-45-3x500.png)
832744-45-3 structure
Product Name:Benzene, 1-[(4-chlorophenyl)ethynyl]-3-(phenylethynyl)-
CAS No:832744-45-3
MF:C22H13Cl
MW:312.79162478447
CID:673773
PubChem ID:71415698
Update Time:2025-04-19
Benzene, 1-[(4-chlorophenyl)ethynyl]-3-(phenylethynyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-[(4-chlorophenyl)ethynyl]-3-(phenylethynyl)-
- 1-chloro-4-[2-[3-(2-phenylethynyl)phenyl]ethynyl]benzene
- DTXSID10835108
- 832744-45-3
- 1-[(4-Chlorophenyl)ethynyl]-3-(phenylethynyl)benzene
-
- Inchi： 1S/C22H13Cl/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： REAJMJQFKXIGBZ-UHFFFAOYSA-N
- SMILES： ClC1C=CC(C#CC2C=CC=C(C#CC3C=CC=CC=3)C=2)=CC=1
Computed Properties
- Exact Mass: 312.0705781g/mol
- Monoisotopic Mass: 312.0705781g/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: 6.6
- Topological Polar Surface Area: 0?2
Benzene, 1-[(4-chlorophenyl)ethynyl]-3-(phenylethynyl)- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
832744-45-3 (Benzene, 1-[(4-chlorophenyl)ethynyl]-3-(phenylethynyl)-) Related Products
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