Cas no 62692-40-4 (Benzene, (3-bromo-3-butenyl)-)
Benzene, (3-bromo-3-butenyl)- structure
Product Name:Benzene, (3-bromo-3-butenyl)-
CAS No:62692-40-4
MF:C10H11Br
MW:211.098342180252
CID:434966
PubChem ID:11171840
Update Time:2025-04-19
Benzene, (3-bromo-3-butenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, (3-bromo-3-butenyl)-
- 3-bromobut-3-enylbenzene
- 2-Bromo-4-phenyl-1-butene
- DTXSID10457602
- 2-bromo-4-phenyl-but-1-ene
- 62692-40-4
-
- Inchi： 1S/C10H11Br/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,1,7-8H2
- InChI Key： FXQTUECZVAFUFD-UHFFFAOYSA-N
- SMILES： BrC(=C)CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 210.00443
- Monoisotopic Mass: 210.00441g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 123
- 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, (3-bromo-3-butenyl)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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