Cas no 89368-25-2 (Benzene, 2-bromo-3-methoxy-4-methyl-1-(1-methylethyl)-)
89368-25-2 structure
Product Name:Benzene, 2-bromo-3-methoxy-4-methyl-1-(1-methylethyl)-
CAS No:89368-25-2
MF:C11H15BrO
MW:243.140202760696
CID:603057
PubChem ID:71323803
Update Time:2025-04-19
Benzene, 2-bromo-3-methoxy-4-methyl-1-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 2-bromo-3-methoxy-4-methyl-1-(1-methylethyl)-
- 3-bromo-2-methoxy-1-methyl-4-propan-2-ylbenzene
- 2-Bromo-3-methoxy-4-methyl-1-(propan-2-yl)benzene
- 89368-25-2
- DTXSID90753351
-
- Inchi： 1S/C11H15BrO/c1-7(2)9-6-5-8(3)11(13-4)10(9)12/h5-7H,1-4H3
- InChI Key： UQLRQQIVUQKGKS-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C)C=CC=1C(C)C)OC
Computed Properties
- Exact Mass: 242.03063g/mol
- Monoisotopic Mass: 242.03063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 158
- 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: 4.1
- Topological Polar Surface Area: 9.2?2
Benzene, 2-bromo-3-methoxy-4-methyl-1-(1-methylethyl)- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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