Cas no 920759-97-3 (2-Chloro-5-(chloromethyl)benzoyl chloride)
920759-97-3 structure
Product Name:2-Chloro-5-(chloromethyl)benzoyl chloride
CAS No:920759-97-3
MF:C8H5Cl3O
MW:223.483699560165
CID:747374
PubChem ID:57944085
Update Time:2024-03-01
2-Chloro-5-(chloromethyl)benzoyl chloride Chemical and Physical Properties
Names and Identifiers
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- Benzoyl chloride, 2-chloro-5-(chloromethyl)-
- 2-chloro-5-(chloromethyl)benzoyl chloride
- 2-Chloro-5-(chloromethyl)benzoyl chloride
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- Inchi： 1S/C8H5Cl3O/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3H,4H2
- InChI Key： MKYYFEMAFCQGQE-UHFFFAOYSA-N
- SMILES： ClC1C=CC(CCl)=CC=1C(=O)Cl
Computed Properties
- Exact Mass: 221.940598g/mol
- Monoisotopic Mass: 221.940598g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 172
- 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
- Topological Polar Surface Area: 17.1
- XLogP3: 3.4
2-Chloro-5-(chloromethyl)benzoyl chloride Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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