Cas no 104729-85-3 (Benzene, 1-chloro-4-[(4-methylphenyl)ethynyl]-)
![Benzene, 1-chloro-4-[(4-methylphenyl)ethynyl]- structure](https://ossimg.kuujia.com/scimg/105000/104729-85-3x500.png)
104729-85-3 structure
Product Name:Benzene, 1-chloro-4-[(4-methylphenyl)ethynyl]-
CAS No:104729-85-3
MF:C15H11Cl
MW:226.700843095779
CID:1146621
PubChem ID:15921874
Update Time:2025-04-20
Benzene, 1-chloro-4-[(4-methylphenyl)ethynyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-chloro-4-[(4-methylphenyl)ethynyl]-
- 1-chloro-4-[2-(4-methylphenyl)ethynyl]benzene
- 1-Chloro-4-[(4-methylphenyl)ethynyl]-benzene
- 104729-85-3
- 1-Chloro-4-[(4-methylphenyl)ethynyl]benzene
- DTXSID20579667
-
- Inchi： 1S/C15H11Cl/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14/h2-5,8-11H,1H3
- InChI Key： WWPAZXAGAXRHBL-UHFFFAOYSA-N
- SMILES： ClC1C=CC(C#CC2C=CC(C)=CC=2)=CC=1
Computed Properties
- Exact Mass: 226.05503
- Monoisotopic Mass: 226.0549280g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 266
- 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: 5.4
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
- LogP: 4.04820
Benzene, 1-chloro-4-[(4-methylphenyl)ethynyl]- Related Literature
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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