Cas no 54590-36-2 (Benzene, 1-(4-bromophenoxy)-4-phenoxy-)
54590-36-2 structure
Product Name:Benzene, 1-(4-bromophenoxy)-4-phenoxy-
CAS No:54590-36-2
MF:C18H13BrO2
MW:341.198624372482
CID:354167
PubChem ID:5001892
Update Time:2025-04-19
Benzene, 1-(4-bromophenoxy)-4-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(4-bromophenoxy)-4-phenoxy-
- 1-bromo-4-(4-phenoxyphenoxy)benzene
- 54590-36-2
- SCHEMBL18105336
- AKOS024352248
- DTXSID60407415
-
- Inchi: 1S/C18H13BrO2/c19-14-6-8-16(9-7-14)21-18-12-10-17(11-13-18)20-15-4-2-1-3-5-15/h1-13H
- InChI Key: MNUZKMAIKKBYQR-UHFFFAOYSA-N
- SMILES: BrC1C=CC(=CC=1)OC1C=CC(=CC=1)OC1C=CC=CC=1
Computed Properties
- Exact Mass: 340.00989
- Monoisotopic Mass: 340.00989g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 288
- 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: 18.5?2
Experimental Properties
- PSA: 18.46
Benzene, 1-(4-bromophenoxy)-4-phenoxy- Related Literature
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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