Cas no 116087-13-9 (3,5-dibromo-4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol)
116087-13-9 structure
Product Name:3,5-dibromo-4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol
CAS No:116087-13-9
MF:C16H16Br2O2
MW:400.105043411255
CID:2614063
PubChem ID:71338840
Update Time:2025-04-21
3,5-dibromo-4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol Chemical and Physical Properties
Names and Identifiers
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- 3,5-dibromo-4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol
- DTXSID50766361
- 116087-13-9
- 2,6-Dibromo-3,3',5,5'-tetramethyl[1,1'-biphenyl]-4,4'-diol
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- Inchi： 1S/C16H16Br2O2/c1-7-5-11(6-8(2)15(7)19)12-13(17)9(3)16(20)10(4)14(12)18/h5-6,19-20H,1-4H3
- InChI Key： GYGDAVFFWGSLMD-UHFFFAOYSA-N
- SMILES： BrC1C(C)=C(C(C)=C(C=1C1C=C(C)C(=C(C)C=1)O)Br)O
Computed Properties
- Exact Mass: 399.94966Da
- Monoisotopic Mass: 397.95170Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 310
- 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: 5.7
- Topological Polar Surface Area: 40.5?2
3,5-dibromo-4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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