Cas no 61305-64-4 (Phenol, 2,6-dibromo-4-hexyl-)
Phenol, 2,6-dibromo-4-hexyl- structure
Product Name:Phenol, 2,6-dibromo-4-hexyl-
CAS No:61305-64-4
MF:C12H16Br2O
MW:336.06284236908
CID:485066
PubChem ID:71397184
Update Time:2025-04-19
Phenol, 2,6-dibromo-4-hexyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2,6-dibromo-4-hexyl-
- 2,6-dibromo-4-hexylphenol
- 61305-64-4
- DTXSID70818694
-
- Inchi： 1S/C12H16Br2O/c1-2-3-4-5-6-9-7-10(13)12(15)11(14)8-9/h7-8,15H,2-6H2,1H3
- InChI Key： SELSFFNBBKTGSN-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C=C(C=1)CCCCCC)Br)O
Computed Properties
- Exact Mass: 333.95678
- Monoisotopic Mass: 333.95679g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 163
- 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: 5.9
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol, 2,6-dibromo-4-hexyl- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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