Cas no 68534-33-8 (Benzonitrile, 5-chloro-2-(3-hydroxyphenoxy)-)
68534-33-8 structure
Product Name:Benzonitrile, 5-chloro-2-(3-hydroxyphenoxy)-
CAS No:68534-33-8
MF:C13H8ClNO2
MW:245.661122322083
CID:392965
PubChem ID:20495176
Update Time:2025-04-19
Benzonitrile, 5-chloro-2-(3-hydroxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 5-chloro-2-(3-hydroxyphenoxy)-
- 5-chloro-2-(3-hydroxyphenoxy)benzonitrile
- AKGACDRSFNWHOY-UHFFFAOYSA-N
- DTXSID00608085
- 68534-33-8
- AKOS006090005
- 3-(2'-cyano-4'-chlorophenoxy)-phenol
- SCHEMBL11190089
-
- Inchi： 1S/C13H8ClNO2/c14-10-4-5-13(9(6-10)8-15)17-12-3-1-2-11(16)7-12/h1-7,16H
- InChI Key： AKGACDRSFNWHOY-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=C(C#N)C=1)OC1C=CC=C(C=1)O
Computed Properties
- Exact Mass: 245.0243562g/mol
- Monoisotopic Mass: 245.0243562g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 301
- 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: 3.4
- Topological Polar Surface Area: 53.2?2
Benzonitrile, 5-chloro-2-(3-hydroxyphenoxy)- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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