Cas no 1019502-17-0 (4-[(2-Fluorophenyl)amino]-benzonitrile)
![4-[(2-Fluorophenyl)amino]-benzonitrile structure](https://ossimg.kuujia.com/scimg/1020000/1019502-17-0x500.png)
1019502-17-0 structure
Product Name:4-[(2-Fluorophenyl)amino]-benzonitrile
CAS No:1019502-17-0
MF:C13H9FN2
MW:212.222366094589
CID:1131488
PubChem ID:28411204
Update Time:2025-04-20
4-[(2-Fluorophenyl)amino]-benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-[(2-Fluorophenyl)amino]-benzonitrile
- AKOS000222271
- SCHEMBL16481462
- 4-((2-Fluorophenyl)amino)benzonitrile
- DB-123195
- SB79174
- 1019502-17-0
-
- Inchi： 1S/C13H9FN2/c14-12-3-1-2-4-13(12)16-11-7-5-10(9-15)6-8-11/h1-8,16H
- InChI Key： SATWWKXVJMKOGM-UHFFFAOYSA-N
- SMILES： FC1C=CC=CC=1NC1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 212.07507
- Monoisotopic Mass: 212.07497646g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 262
- 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: 3.3
- Topological Polar Surface Area: 35.8?2
Experimental Properties
- PSA: 35.82
4-[(2-Fluorophenyl)amino]-benzonitrile Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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