Cas no 52897-67-3 (1,2-Benzenediol, 3,4,6-tribromo-5-(hydroxymethyl)-)
52897-67-3 structure
Product Name:1,2-Benzenediol, 3,4,6-tribromo-5-(hydroxymethyl)-
CAS No:52897-67-3
MF:C7H5Br3O3
MW:376.824800252914
CID:358521
PubChem ID:9976853
Update Time:2025-04-19
1,2-Benzenediol, 3,4,6-tribromo-5-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol, 3,4,6-tribromo-5-(hydroxymethyl)-
- 3,4,6-tribromo-5-(hydroxymethyl)benzene-1,2-diol
- 2,3,6-tribromo-4,5-dihydroxybenzyl alcohol
- DTXSID30433600
- CHEMBL470234
- 52897-67-3
-
- Inchi： 1S/C7H5Br3O3/c8-3-2(1-11)4(9)6(12)7(13)5(3)10/h11-13H,1H2
- InChI Key： CQIHXZDRQAKOMS-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C(=C(C=1CO)Br)Br)O)O
Computed Properties
- Exact Mass: 373.77875
- Monoisotopic Mass: 373.77888g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 180
- 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: 60.7?2
Experimental Properties
- PSA: 60.69
1,2-Benzenediol, 3,4,6-tribromo-5-(hydroxymethyl)- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
52897-67-3 (1,2-Benzenediol, 3,4,6-tribromo-5-(hydroxymethyl)-) Related Products
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