Cas no 15460-16-9 ( )
structure
Product Name:
CAS No:15460-16-9
MF:C8H8Br2O
MW:279.956521034241
CID:904181
PubChem ID:13774985
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4,6-Dibromo-2,3-dimethylphenol
- 2,4-Dibrom-5,6-dimethyl-phenol
- 2,4-dibromo-5,6-dimethylphenol
- 4,6-Dibrom-2,3-dimethyl-phenol
- Phenol,4,6-dibromo-2,3-dimethyl
- SCHEMBL525085
- 15460-16-9
- DB-082491
- DTXSID20549062
-
-
- Inchi： 1S/C8H8Br2O/c1-4-5(2)8(11)7(10)3-6(4)9/h3,11H,1-2H3
- InChI Key： MKCNODSSAHAREV-UHFFFAOYSA-N
- SMILES： BrC1=CC(=C(C(C)=C1C)O)Br
Computed Properties
- Exact Mass: 277.89400
- 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
- XLogP3: 3.7
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23000
- LogP: 3.53400
Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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