Cas no 918896-39-6 (1,3-Dioxolane, 2-(3-bromo-4-methoxy-5-methylphenyl)-)
918896-39-6 structure
Product Name:1,3-Dioxolane, 2-(3-bromo-4-methoxy-5-methylphenyl)-
CAS No:918896-39-6
MF:C11H13BrO3
MW:273.123122930527
CID:768944
PubChem ID:15940598
Update Time:2025-04-19
1,3-Dioxolane, 2-(3-bromo-4-methoxy-5-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane, 2-(3-bromo-4-methoxy-5-methylphenyl)-
- 2-(3-bromo-4-methoxy-5-methylphenyl)-1,3-dioxolane
- DTXSID10579959
- 918896-39-6
-
- Inchi： 1S/C11H13BrO3/c1-7-5-8(11-14-3-4-15-11)6-9(12)10(7)13-2/h5-6,11H,3-4H2,1-2H3
- InChI Key： HOMDRJJOXZENCJ-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C)C=C(C=1)C1OCCO1)OC
Computed Properties
- Exact Mass: 272.00481g/mol
- Monoisotopic Mass: 272.00481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 206
- 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: 2.4
- Topological Polar Surface Area: 27.7?2
1,3-Dioxolane, 2-(3-bromo-4-methoxy-5-methylphenyl)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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4. 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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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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