Cas no 911115-76-9 (Benzene, 1-bromo-4-methoxy-5-(3-methoxypropoxy)-2-methyl-)
911115-76-9 structure
Product Name:Benzene, 1-bromo-4-methoxy-5-(3-methoxypropoxy)-2-methyl-
CAS No:911115-76-9
MF:C12H17BrO3
MW:289.165583372116
CID:1960153
PubChem ID:59223954
Update Time:2025-04-21
Benzene, 1-bromo-4-methoxy-5-(3-methoxypropoxy)-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-bromo-4-methoxy-5-(3-methoxypropoxy)-2-methyl-
- RGZQRFJELSLBSW-UHFFFAOYSA-N
- DB-103162
- 1-Bromo-4-methoxy-5-(3-methoxy-propoxy)-2-methyl-benzene
- SCHEMBL3370500
- 911115-76-9
-
- Inchi： 1S/C12H17BrO3/c1-9-7-11(15-3)12(8-10(9)13)16-6-4-5-14-2/h7-8H,4-6H2,1-3H3
- InChI Key： RGZQRFJELSLBSW-UHFFFAOYSA-N
- SMILES： BrC1=CC(=C(C=C1C)OC)OCCCOC
Computed Properties
- Exact Mass: 288.03611Da
- Monoisotopic Mass: 288.03611Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 189
- 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: 3.1
- Topological Polar Surface Area: 27.7?2
Benzene, 1-bromo-4-methoxy-5-(3-methoxypropoxy)-2-methyl- 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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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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