Cas no 52897-61-7 (3-bromo-4,5-dihydroxybenzyl alcohol)
52897-61-7 structure
Product Name:3-bromo-4,5-dihydroxybenzyl alcohol
CAS No:52897-61-7
MF:C7H7BrO3
MW:219.032681703568
CID:937651
PubChem ID:13887341
Update Time:2025-04-19
3-bromo-4,5-dihydroxybenzyl alcohol Chemical and Physical Properties
Names and Identifiers
-
- 3-bromo-4,5-dihydroxybenzyl alcohol
- 3-bromo-5-(hydroxymethyl)benzene-1,2-diol
- CHEMBL451595
- DTXSID40551884
- 52897-61-7
-
- Inchi： 1S/C7H7BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-2,9-11H,3H2
- InChI Key： VKMNUQABTPJNTP-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C=C(CO)C=1)O)O
Computed Properties
- Exact Mass: 217.95786g/mol
- Monoisotopic Mass: 217.95786g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 131
- 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: 1
- Topological Polar Surface Area: 60.7?2
3-bromo-4,5-dihydroxybenzyl alcohol 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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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