Cas no 61172-35-8 (Benzene, 1-(1-chloroethenyl)-3,5-dimethyl-)
61172-35-8 structure
Product Name:Benzene, 1-(1-chloroethenyl)-3,5-dimethyl-
CAS No:61172-35-8
MF:C10H11Cl
MW:166.647341966629
CID:489710
PubChem ID:71398676
Update Time:2025-04-19
Benzene, 1-(1-chloroethenyl)-3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(1-chloroethenyl)-3,5-dimethyl-
- 1-(1-chloroethenyl)-3,5-dimethylbenzene
- 61172-35-8
- DTXSID80820086
- SCHEMBL17424935
-
- Inchi： 1S/C10H11Cl/c1-7-4-8(2)6-10(5-7)9(3)11/h4-6H,3H2,1-2H3
- InChI Key： NGKQVGFBUWVLFY-UHFFFAOYSA-N
- SMILES： ClC(=C)C1C=C(C)C=C(C)C=1
Computed Properties
- Exact Mass: 166.05503
- Monoisotopic Mass: 166.0549280g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 141
- 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: 3.8
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 1-(1-chloroethenyl)-3,5-dimethyl- Related Literature
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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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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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