Cas no 22132-51-0 (Carbonochloridic acid, 4-(dichloromethyl)phenyl ester)
22132-51-0 structure
Product Name:Carbonochloridic acid, 4-(dichloromethyl)phenyl ester
CAS No:22132-51-0
MF:C8H5Cl3O2
MW:239.48309969902
CID:5106554
Update Time:2023-08-25
Carbonochloridic acid, 4-(dichloromethyl)phenyl ester Chemical and Physical Properties
Names and Identifiers
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- Carbonochloridic acid, 4-(dichloromethyl)phenyl ester
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- Inchi： 1S/C8H5Cl3O2/c9-7(10)5-1-3-6(4-2-5)13-8(11)12/h1-4,7H
- InChI Key： PIYXIHHBOOYNGT-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(=CC=1)OC(=O)Cl)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 176
- XLogP3: 3.9
- Topological Polar Surface Area: 26.3
Carbonochloridic acid, 4-(dichloromethyl)phenyl ester Related Literature
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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