Cas no 863314-86-7 (4'-FLUORO-2,3',6-TRIBROMODIPHENYL ETHER)
863314-86-7 structure
Product Name:4'-FLUORO-2,3',6-TRIBROMODIPHENYL ETHER
CAS No:863314-86-7
MF:C12H6Br3FO
MW:424.885844707489
CID:991541
PubChem ID:67417066
Update Time:2025-04-20
4'-FLUORO-2,3',6-TRIBROMODIPHENYL ETHER Chemical and Physical Properties
Names and Identifiers
-
- 4'-FLUORO-2,3',6-TRIBROMODIPHENYL ETHER
- 4’-Fluoro-2,3’,6-tribromodiphenyl ether
- 4-Fluoro-2,3,6-tribromodiphenyl ether50μg
- F-BDE-27
- F-PBDE-27
- 863314-86-7
- SCHEMBL2461156
- 1,3-dibromo-2-(3-bromo-4-fluorophenoxy)benzene
- DTXSID201016814
-
- Inchi： 1S/C12H6Br3FO/c13-8-2-1-3-9(14)12(8)17-7-4-5-11(16)10(15)6-7/h1-6H
- InChI Key： FMYJWMRNEIUHMR-UHFFFAOYSA-N
- SMILES： BrC1C=CC=C(C=1OC1C=CC(=C(C=1)Br)F)Br
Computed Properties
- Exact Mass: 421.79500
- Monoisotopic Mass: 421.795
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 244
- 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
- Topological Polar Surface Area: 9.2A^2
- XLogP3: 5.6
Experimental Properties
- PSA: 9.23000
- LogP: 5.90550
4'-FLUORO-2,3',6-TRIBROMODIPHENYL ETHER Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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