Cas no 91370-78-4 (Phenol, 2,6-dibromo-4-(2,4,6-tribromophenoxy)-)
91370-78-4 structure
Product Name:Phenol, 2,6-dibromo-4-(2,4,6-tribromophenoxy)-
CAS No:91370-78-4
MF:C12H5Br5O2
MW:580.686899900436
CID:787783
PubChem ID:71428955
Update Time:2025-04-19
Phenol, 2,6-dibromo-4-(2,4,6-tribromophenoxy)- Chemical and Physical Properties
Names and Identifiers
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- Phenol, 2,6-dibromo-4-(2,4,6-tribromophenoxy)-
- 2,6-dibromo-4-(2,4,6-tribromophenoxy)phenol
- DTXSID10847665
- 91370-78-4
-
- Inchi： 1S/C12H5Br5O2/c13-5-1-9(16)12(10(17)2-5)19-6-3-7(14)11(18)8(15)4-6/h1-4,18H
- InChI Key： WVVITAMDLUEXSZ-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=C(C=1OC1C=C(C(=C(C=1)Br)O)Br)Br)Br
Computed Properties
- Exact Mass: 579.61654g/mol
- Monoisotopic Mass: 575.62064g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 282
- 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: 6.6
- Topological Polar Surface Area: 29.5?2
Phenol, 2,6-dibromo-4-(2,4,6-tribromophenoxy)- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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