Cas no 68114-87-4 (Ethanone, 1,1'-(1,3-propanediyldi-4,1-phenylene)bis[2-bromo-)
68114-87-4 structure
Product Name:Ethanone, 1,1'-(1,3-propanediyldi-4,1-phenylene)bis[2-bromo-
CAS No:68114-87-4
MF:C19H18Br2O2
MW:438.153024196625
CID:393685
PubChem ID:12437307
Update Time:2025-04-19
Ethanone, 1,1'-(1,3-propanediyldi-4,1-phenylene)bis[2-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 2-bromo-1-[4-[3-[4-(2-bromoacetyl)phenyl]propyl]phenyl]ethanone
- 1,1'-[Propane-1,3-diyldi(4,1-phenylene)]bis(2-bromoethan-1-one)
- 68114-87-4
- DTXSID80498244
- Ethanone, 1,1'-(1,3-propanediyldi-4,1-phenylene)bis[2-bromo-
-
- Inchi： 1S/C19H18Br2O2/c20-12-18(22)16-8-4-14(5-9-16)2-1-3-15-6-10-17(11-7-15)19(23)13-21/h4-11H,1-3,12-13H2
- InChI Key： LQJYQODCBKNGSU-UHFFFAOYSA-N
- SMILES： BrCC(C1C=CC(=CC=1)CCCC1C=CC(C(CBr)=O)=CC=1)=O
Computed Properties
- Exact Mass: 435.96734
- Monoisotopic Mass: 435.96735g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 8
- Complexity: 345
- 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: 5.6
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
Ethanone, 1,1'-(1,3-propanediyldi-4,1-phenylene)bis[2-bromo- Related Literature
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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