Cas no 61592-94-7 (Benzene, 1-bromo-2-(1,2-dimethyl-2-phenylpropyl)-)
61592-94-7 structure
Product Name:Benzene, 1-bromo-2-(1,2-dimethyl-2-phenylpropyl)-
CAS No:61592-94-7
MF:C17H19Br
MW:303.236764192581
CID:473578
PubChem ID:71394296
Update Time:2025-04-19
Benzene, 1-bromo-2-(1,2-dimethyl-2-phenylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-bromo-2-(1,2-dimethyl-2-phenylpropyl)-
- 1-bromo-2-(3-methyl-3-phenylbutan-2-yl)benzene
- DTXSID90816011
- 61592-94-7
-
- Inchi： 1S/C17H19Br/c1-13(15-11-7-8-12-16(15)18)17(2,3)14-9-5-4-6-10-14/h4-13H,1-3H3
- InChI Key： VUGYKRBYEKVRHU-UHFFFAOYSA-N
- SMILES： BrC1C=CC=CC=1C(C)C(C)(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 302.06707
- Monoisotopic Mass: 302.06701g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 252
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 1-bromo-2-(1,2-dimethyl-2-phenylpropyl)- Related Literature
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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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