Cas no 89479-09-4 (1,3-Benzenedimethanol, 5-bromo-2-methoxy-)
89479-09-4 structure
Product Name:1,3-Benzenedimethanol, 5-bromo-2-methoxy-
CAS No:89479-09-4
MF:C9H11BrO3
MW:247.085842370987
CID:599068
PubChem ID:14066158
Update Time:2025-04-19
1,3-Benzenedimethanol, 5-bromo-2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedimethanol, 5-bromo-2-methoxy-
- [5-bromo-3-(hydroxymethyl)-2-methoxyphenyl]methanol
- 89479-09-4
- 4-bromo-2,6-bis(hydroxymethyl) anisole
- AS-0236
- AKOS034179153
- (5-Bromo-2-methoxy-1,3-phenylene)dimethanol
- 4-Bromo-2,6-bis(hydroxymethyl)anisole
- AB00991518-01
- DTXSID20555289
- SCHEMBL10600312
-
- Inchi： 1S/C9H11BrO3/c1-13-9-6(4-11)2-8(10)3-7(9)5-12/h2-3,11-12H,4-5H2,1H3
- InChI Key： LNRIBAMFJNURQO-UHFFFAOYSA-N
- SMILES： BrC1C=C(CO)C(=C(CO)C=1)OC
Computed Properties
- Exact Mass: 245.98916g/mol
- Monoisotopic Mass: 245.98916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 140
- 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: 0.8
- Topological Polar Surface Area: 49.7?2
1,3-Benzenedimethanol, 5-bromo-2-methoxy- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Izumi Yamamoto,Gildas P. Deniau,Navnath Gavande,Mary Chebib,Graham A. R. Johnston,David O'Hagan Chem. Commun., 2011,47, 7956-7958
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