Cas no 917396-46-4 (Benzene, 1-(chloromethyl)-4-(ethylsulfonyl)-)
917396-46-4 structure
Product Name:Benzene, 1-(chloromethyl)-4-(ethylsulfonyl)-
CAS No:917396-46-4
MF:C9H11ClO2S
MW:218.700440645218
CID:786343
PubChem ID:59834791
Update Time:2025-04-19
Benzene, 1-(chloromethyl)-4-(ethylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 1-(chloromethyl)-4-(ethylsulfonyl)-
- 1-(chloromethyl)-4-ethylsulfonylbenzene
- 1-(chloromethyl)-4-(ethylsulfonyl)benzene
- 917396-46-4
- SCHEMBL710799
- 4-(ethanesulfonyl)benzyl chloride
- DTXSID60733140
- SGRCATYMADRLBX-UHFFFAOYSA-N
- 1-(Chloromethyl)-4-(ethanesulfonyl)benzene
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- Inchi： 1S/C9H11ClO2S/c1-2-13(11,12)9-5-3-8(7-10)4-6-9/h3-6H,2,7H2,1H3
- InChI Key： SGRCATYMADRLBX-UHFFFAOYSA-N
- SMILES： ClCC1C=CC(=CC=1)S(CC)(=O)=O
Computed Properties
- Exact Mass: 218.0168285g/mol
- Monoisotopic Mass: 218.0168285g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 235
- 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: 42.5?2
Benzene, 1-(chloromethyl)-4-(ethylsulfonyl)- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
917396-46-4 (Benzene, 1-(chloromethyl)-4-(ethylsulfonyl)-) Related Products
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