Cas no 920036-09-5 (Benzonitrile, 3-(3-chloro-5-hydroxyphenoxy)-)
920036-09-5 structure
Product Name:Benzonitrile, 3-(3-chloro-5-hydroxyphenoxy)-
CAS No:920036-09-5
MF:C13H8ClNO2
MW:245.661122322083
CID:759092
PubChem ID:57443606
Update Time:2025-04-19
Benzonitrile, 3-(3-chloro-5-hydroxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3-(3-chloro-5-hydroxyphenoxy)-
- 3-(3-chloro-5-hydroxyphenoxy)benzonitrile
- DTXSID60726491
- SCHEMBL3607303
- FT-0718440
- 920036-09-5
-
- Inchi： 1S/C13H8ClNO2/c14-10-5-11(16)7-13(6-10)17-12-3-1-2-9(4-12)8-15/h1-7,16H
- InChI Key： SBDDEKMWSHYMEF-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=C(C=1)OC1C=CC=C(C#N)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, 3-(3-chloro-5-hydroxyphenoxy)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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