Cas no 51822-12-9 (Benzoyl chloride, 4-(2-chloro-2-oxoethoxy)-)
51822-12-9 structure
Product Name:Benzoyl chloride, 4-(2-chloro-2-oxoethoxy)-
CAS No:51822-12-9
MF:C9H6Cl2O3
MW:233.048141002655
CID:361301
PubChem ID:10998895
Update Time:2025-04-19
Benzoyl chloride, 4-(2-chloro-2-oxoethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride, 4-(2-chloro-2-oxoethoxy)-
- 4-(2-chloro-2-oxoethoxy)benzoyl chloride
- 51822-12-9
- SCHEMBL4360696
- DTXSID30451329
-
- Inchi： 1S/C9H6Cl2O3/c10-8(12)5-14-7-3-1-6(2-4-7)9(11)13/h1-4H,5H2
- InChI Key： LBWQXRBMXPYFIC-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(=CC=1)OCC(=O)Cl)=O
Computed Properties
- Exact Mass: 231.96948
- Monoisotopic Mass: 231.9693994g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 222
- 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
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Benzoyl chloride, 4-(2-chloro-2-oxoethoxy)- Related Literature
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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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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
51822-12-9 (Benzoyl chloride, 4-(2-chloro-2-oxoethoxy)-) Related Products
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