Cas no 65842-01-5 (Benzonitrile, 5-chloro-2-(4-hydroxyphenoxy)-)
65842-01-5 structure
Product Name:Benzonitrile, 5-chloro-2-(4-hydroxyphenoxy)-
CAS No:65842-01-5
MF:C13H8ClNO2
MW:245.661122322083
CID:1693740
PubChem ID:12940625
Update Time:2025-04-21
Benzonitrile, 5-chloro-2-(4-hydroxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 5-chloro-2-(4-hydroxyphenoxy)-
- 5-chloro-2-(4-hydroxyphenoxy)benzonitrile
- SCHEMBL11372623
- 65842-01-5
- DTXSID60513525
- AKOS011784395
-
- Inchi： 1S/C13H8ClNO2/c14-10-1-6-13(9(7-10)8-15)17-12-4-2-11(16)3-5-12/h1-7,16H
- InChI Key： UCNTZGVLKRZSRF-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=C(C#N)C=1)OC1C=CC(=CC=1)O
Computed Properties
- Exact Mass: 245.02444
- 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: 293
- 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
Experimental Properties
- PSA: 53.25
Benzonitrile, 5-chloro-2-(4-hydroxyphenoxy)- 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
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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