Cas no 56888-48-3 (1,2,4-Benzenetricarbonitrile, 5-(phenylmethyl)-)
56888-48-3 structure
Product Name:1,2,4-Benzenetricarbonitrile, 5-(phenylmethyl)-
CAS No:56888-48-3
MF:C16H9N3
MW:243.262762784958
CID:347552
PubChem ID:13716711
Update Time:2025-04-19
1,2,4-Benzenetricarbonitrile, 5-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzenetricarbonitrile, 5-(phenylmethyl)-
- 5-benzylbenzene-1,2,4-tricarbonitrile
- DTXSID50547475
- 56888-48-3
-
- Inchi： 1S/C16H9N3/c17-9-14-8-16(11-19)15(10-18)7-13(14)6-12-4-2-1-3-5-12/h1-5,7-8H,6H2
- InChI Key： ZSPPZFIMMVXZHV-UHFFFAOYSA-N
- SMILES： N#CC1C=C(C#N)C(C#N)=CC=1CC1C=CC=CC=1
Computed Properties
- Exact Mass: 243.07977
- Monoisotopic Mass: 243.079647300g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 448
- 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: 3
- Topological Polar Surface Area: 71.4?2
Experimental Properties
- PSA: 71.37
1,2,4-Benzenetricarbonitrile, 5-(phenylmethyl)- Related Literature
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
56888-48-3 (1,2,4-Benzenetricarbonitrile, 5-(phenylmethyl)-) Related Products
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