Cas no 55368-68-8 (Acetyl chloride, (4-cyanophenoxy)-)
55368-68-8 structure
Product Name:Acetyl chloride, (4-cyanophenoxy)-
CAS No:55368-68-8
MF:C9H6ClNO2
MW:195.602441310883
CID:352155
PubChem ID:12207748
Update Time:2025-04-19
Acetyl chloride, (4-cyanophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Acetyl chloride, (4-cyanophenoxy)-
- 2-(4-cyanophenoxy)acetyl chloride
- 55368-68-8
- SCHEMBL15647515
- DTXSID30480477
- VQSZCLLHOOHTKQ-UHFFFAOYSA-N
-
- Inchi: 1S/C9H6ClNO2/c10-9(12)6-13-8-3-1-7(5-11)2-4-8/h1-4H,6H2
- InChI Key: VQSZCLLHOOHTKQ-UHFFFAOYSA-N
- SMILES: ClC(COC1C=CC(C#N)=CC=1)=O
Computed Properties
- Exact Mass: 195.00878
- Monoisotopic Mass: 195.0087061g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 225
- 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: 1.9
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- PSA: 50.09
Acetyl chloride, (4-cyanophenoxy)- Related Literature
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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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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