Cas no 100125-99-3 (1,3-Dioxolane-4-methanol,2-(p-bromophenyl)-2-methyl- (6CI))
100125-99-3 structure
Product Name:1,3-Dioxolane-4-methanol,2-(p-bromophenyl)-2-methyl- (6CI)
CAS No:100125-99-3
MF:C11H13BrO3
MW:273.123122930527
CID:206491
PubChem ID:57628
Update Time:2025-04-19
1,3-Dioxolane-4-methanol,2-(p-bromophenyl)-2-methyl- (6CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane-4-methanol,2-(p-bromophenyl)-2-methyl- (6CI)
- [2-(4-Bromophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
- 1,3-DIOXOLANE-4-METHANOL, 2-(p-BROMOPHENYL)-2-METHYL-
- 2-(p-Bromophenyl)-2-methyl-1,3-dioxolane-4-methanol
- AC1L1NE5
- AC1Q263M
- KB-224313
- LS-62577
- 100125-99-3
- DTXSID50905218
-
- Inchi： 1S/C11H13BrO3/c1-11(14-7-10(6-13)15-11)8-2-4-9(12)5-3-8/h2-5,10,13H,6-7H2,1H3
- InChI Key： IQLLWQIEWGCXLG-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C1(C)OCC(CO)O1
Computed Properties
- Exact Mass: 272.00479
- Monoisotopic Mass: 272.004807
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 216
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 38.7
- XLogP3: 1.6
Experimental Properties
- Density: 1.451
- Boiling Point: 351.7°Cat760mmHg
- Flash Point: 166.5°C
- Refractive Index: 1.55
- PSA: 38.69
- LogP: 2.02950
1,3-Dioxolane-4-methanol,2-(p-bromophenyl)-2-methyl- (6CI) Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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