Cas no 54411-12-0 (2-Chloro-1-phenyl-2-butene)
2-Chloro-1-phenyl-2-butene structure
Product Name:2-Chloro-1-phenyl-2-butene
CAS No:54411-12-0
MF:C10H11Cl
MW:166.647341966629
CID:2195863
PubChem ID:582926
Update Time:2025-04-21
2-Chloro-1-phenyl-2-butene Chemical and Physical Properties
Names and Identifiers
-
- 2-Chloro-1-phenyl-2-butene
- 2-chlorobut-2-enylbenzene
- DB-355527
- DTXSID00342553
- DTXCID60293633
- 54411-12-0
- Benzene, (2-chloro-2-butenyl)-
-
- Inchi： 1S/C10H11Cl/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7H,8H2,1H3
- InChI Key： NKGAPYOBDADCJM-UHFFFAOYSA-N
- SMILES： ClC(=CC)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 166.0549280g/mol
- 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: 2
- Complexity: 132
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.6
- Topological Polar Surface Area: 0?2
2-Chloro-1-phenyl-2-butene Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
54411-12-0 (2-Chloro-1-phenyl-2-butene) Related Products
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