Cas no 502760-11-4 (Benzene, 1-(2-bromooctyl)-4-methoxy-)
502760-11-4 structure
Product Name:Benzene, 1-(2-bromooctyl)-4-methoxy-
CAS No:502760-11-4
MF:C15H23BrO
MW:299.246524095535
CID:365395
PubChem ID:12030660
Update Time:2025-04-19
Benzene, 1-(2-bromooctyl)-4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(2-bromooctyl)-4-methoxy-
- 1-(2-bromooctyl)-4-methoxybenzene
- 502760-11-4
- AGN-PC-0NHK59
- DTXSID10476111
-
- Inchi： 1S/C15H23BrO/c1-3-4-5-6-7-14(16)12-13-8-10-15(17-2)11-9-13/h8-11,14H,3-7,12H2,1-2H3
- InChI Key： DPJMZNZLYZLXRN-UHFFFAOYSA-N
- SMILES： BrC(CC1C=CC(=CC=1)OC)CCCCCC
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: 8
- Complexity: 176
- 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: 5.9
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1-(2-bromooctyl)-4-methoxy- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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