Cas no 101205-76-9 (Benzonitrile, 4-[(1E)-2-(4-methylphenyl)ethenyl]-)
![Benzonitrile, 4-[(1E)-2-(4-methylphenyl)ethenyl]- structure](https://ossimg.kuujia.com/scimg/101500/101205-76-9x500.png)
101205-76-9 structure
Product Name:Benzonitrile, 4-[(1E)-2-(4-methylphenyl)ethenyl]-
CAS No:101205-76-9
MF:C16H13N
MW:219.281123876572
CID:1131044
PubChem ID:54464163
Update Time:2025-04-20
Benzonitrile, 4-[(1E)-2-(4-methylphenyl)ethenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-[(1E)-2-(4-methylphenyl)ethenyl]-
- 4-[2-(4-methylphenyl)ethenyl]benzonitrile
- DTXSID50711518
- 101205-76-9
-
- Inchi： 1S/C16H13N/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(12-17)11-9-15/h2-11H,1H3
- InChI Key： XDRQSWIHRYSNDY-UHFFFAOYSA-N
- SMILES： N#CC1C=CC(=CC=1)C=CC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 219.104799g/mol
- Monoisotopic Mass: 219.104799g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 293
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Molecular Weight: 219.28g/mol
- XLogP3: 4.3
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79000
- LogP: 4.03708
Benzonitrile, 4-[(1E)-2-(4-methylphenyl)ethenyl]- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
101205-76-9 (Benzonitrile, 4-[(1E)-2-(4-methylphenyl)ethenyl]-) Related Products
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