Cas no 62584-69-4 (Benzonitrile, 3-[2-(4-bromophenyl)ethyl]-)
![Benzonitrile, 3-[2-(4-bromophenyl)ethyl]- structure](https://ossimg.kuujia.com/scimg/63000/62584-69-4x500.png)
62584-69-4 structure
Product Name:Benzonitrile, 3-[2-(4-bromophenyl)ethyl]-
CAS No:62584-69-4
MF:C15H12BrN
MW:286.166482925415
CID:439136
PubChem ID:71384938
Update Time:2025-04-19
Benzonitrile, 3-[2-(4-bromophenyl)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3-[2-(4-bromophenyl)ethyl]-
- 3-[2-(4-bromophenyl)ethyl]benzonitrile
- DTXSID30807185
- 62584-69-4
-
- Inchi： 1S/C15H12BrN/c16-15-8-6-12(7-9-15)4-5-13-2-1-3-14(10-13)11-17/h1-3,6-10H,4-5H2
- InChI Key： HDJKTLVNRKFOAD-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)CCC1C=CC=C(C#N)C=1
Computed Properties
- Exact Mass: 285.01536
- Monoisotopic Mass: 285.01531g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 272
- 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: 4.5
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
Benzonitrile, 3-[2-(4-bromophenyl)ethyl]- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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