Cas no 152178-53-5 (Benzene, 1-bromo-4,5-dimethoxy-2-(1-methylethyl)-)
152178-53-5 structure
Product Name:Benzene, 1-bromo-4,5-dimethoxy-2-(1-methylethyl)-
CAS No:152178-53-5
MF:C11H15BrO2
MW:259.139602899551
CID:1325834
PubChem ID:53947506
Update Time:2025-04-20
Benzene, 1-bromo-4,5-dimethoxy-2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-bromo-4,5-dimethoxy-2-(1-methylethyl)-
- SCHEMBL7281047
- 1-bromo-2-isopropyl-4,5-dimethoxybenzene
- 152178-53-5
-
- Inchi： 1S/C11H15BrO2/c1-7(2)8-5-10(13-3)11(14-4)6-9(8)12/h5-7H,1-4H3
- InChI Key： JCBFHVQBVSJGCP-UHFFFAOYSA-N
- SMILES： BrC1=CC(=C(C=C1C(C)C)OC)OC
Computed Properties
- Exact Mass: 258.02555
- Monoisotopic Mass: 258.02554g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 173
- 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: 3.7
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
Benzene, 1-bromo-4,5-dimethoxy-2-(1-methylethyl)- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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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