Cas no 1125-51-5 (Phenol, 3,4-dibromo-2,6-dimethyl-)
1125-51-5 structure
Product Name:Phenol, 3,4-dibromo-2,6-dimethyl-
CAS No:1125-51-5
MF:C8H8Br2O
MW:279.956521034241
CID:97250
PubChem ID:12308077
Update Time:2025-04-18
Phenol, 3,4-dibromo-2,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3,4-dibromo-2,6-dimethyl-
- 3,4-dibromo-2,6-dimethylphenol
- DTXSID30487067
- 3,4-dibromo-2,6-dimethyl phenol
- SCHEMBL6433514
- 1125-51-5
-
- Inchi： 1S/C8H8Br2O/c1-4-3-6(9)7(10)5(2)8(4)11/h3,11H,1-2H3
- InChI Key： GNDIVIKZOWZSHY-UHFFFAOYSA-N
- SMILES： BrC1=C(C=C(C)C(=C1C)O)Br
Computed Properties
- Exact Mass: 277.89414
- Monoisotopic Mass: 277.89419g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 3.7
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol, 3,4-dibromo-2,6-dimethyl- 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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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