Cas no 217819-14-2 (Benzene, 1-bromo-3,5-bis(1,1-dimethylethyl)-2-methoxy-)
217819-14-2 structure
Product Name:Benzene, 1-bromo-3,5-bis(1,1-dimethylethyl)-2-methoxy-
CAS No:217819-14-2
MF:C15H23BrO
MW:299.246524095535
CID:1409107
PubChem ID:15405940
Update Time:2025-04-20
Benzene, 1-bromo-3,5-bis(1,1-dimethylethyl)-2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-bromo-3,5-bis(1,1-dimethylethyl)-2-methoxy-
- 1,5-di-tert-butyl-3-bromo-2-methoxybenzene
- 1-bromo-3,5-ditert-butyl-2-methoxybenzene
- DTXSID60572475
- 1-Bromo-3,5-bis(1,1-dimethylethyl)-2-methoxybenzene
- 1-methoxy-2,4-di-t-butyl-6-bromobenzene
- 1-bromo-3,5-di-tert-butyl-2-methoxybenzene
- SCHEMBL3770921
- DA-30172
- 217819-14-2
- TWDKREJUVZHQFJ-UHFFFAOYSA-N
-
- Inchi: 1S/C15H23BrO/c1-14(2,3)10-8-11(15(4,5)6)13(17-7)12(16)9-10/h8-9H,1-7H3
- InChI Key: TWDKREJUVZHQFJ-UHFFFAOYSA-N
- SMILES: BrC1C=C(C=C(C=1OC)C(C)(C)C)C(C)(C)C
Computed Properties
- Exact Mass: 298.09329
- Monoisotopic Mass: 298.09323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 249
- 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: 5.9
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1-bromo-3,5-bis(1,1-dimethylethyl)-2-methoxy- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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