Cas no 68534-36-1 (Benzonitrile, 5-chloro-2-(4-chloro-3-hydroxyphenoxy)-)
68534-36-1 structure
Product Name:Benzonitrile, 5-chloro-2-(4-chloro-3-hydroxyphenoxy)-
CAS No:68534-36-1
MF:C13H7Cl2NO2
MW:280.106181383133
CID:392962
PubChem ID:12837437
Update Time:2025-04-19
Benzonitrile, 5-chloro-2-(4-chloro-3-hydroxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 5-chloro-2-(4-chloro-3-hydroxyphenoxy)-
- 5-chloro-2-(4-chloro-3-hydroxyphenoxy)benzonitrile
- SCHEMBL11182601
- DTXSID70511113
- 68534-36-1
-
- Inchi： 1S/C13H7Cl2NO2/c14-9-1-4-13(8(5-9)7-16)18-10-2-3-11(15)12(17)6-10/h1-6,17H
- InChI Key： VGWJFOZRUMFTLJ-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1O)OC1C=CC(=CC=1C#N)Cl
Computed Properties
- Exact Mass: 278.98551
- Monoisotopic Mass: 278.9853839g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 330
- 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: 4.1
- Topological Polar Surface Area: 53.2?2
Experimental Properties
- PSA: 53.25
Benzonitrile, 5-chloro-2-(4-chloro-3-hydroxyphenoxy)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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