Cas no 80246-26-0 (Phenol, 2,3,5-tribromo-6-(3,5-dibromo-2-hydroxyphenoxy)-)
80246-26-0 structure
Product Name:Phenol, 2,3,5-tribromo-6-(3,5-dibromo-2-hydroxyphenoxy)-
CAS No:80246-26-0
MF:C12H5Br5O3
MW:596.686300039291
CID:1800803
PubChem ID:10348509
Update Time:2025-04-21
Phenol, 2,3,5-tribromo-6-(3,5-dibromo-2-hydroxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2,3,5-tribromo-6-(3,5-dibromo-2-hydroxyphenoxy)-
- 2,3,5-tribromo-6-(3,5-dibromo-2-hydroxyphenoxy)phenol
- BDBM50150788
- SCHEMBL14385345
- 2,3,5-Tribromo-6-(3,5-dibromo-2-hydroxy-phenoxy)-phenol
- CHEMBL148503
- DTXSID40438429
- 80246-26-0
-
- Inchi： 1S/C12H5Br5O3/c13-4-1-6(15)10(18)8(2-4)20-12-7(16)3-5(14)9(17)11(12)19/h1-3,18-19H
- InChI Key： OBMWDTFRQJRRIM-UHFFFAOYSA-N
- SMILES： BrC1=CC(=C(C(=C1OC1C=C(C=C(C=1O)Br)Br)O)Br)Br
Computed Properties
- Exact Mass: 595.61146g/mol
- Monoisotopic Mass: 591.61556g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 334
- 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: 6.2
- Topological Polar Surface Area: 49.7?2
Phenol, 2,3,5-tribromo-6-(3,5-dibromo-2-hydroxyphenoxy)- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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