Cas no 61748-02-5 (Ethanone, 1-(3-bromophenyl)-2-(triphenylphosphoranylidene)-)
61748-02-5 structure
Product Name:Ethanone, 1-(3-bromophenyl)-2-(triphenylphosphoranylidene)-
CAS No:61748-02-5
MF:C26H20BrOP
MW:459.314167022705
CID:467656
PubChem ID:12034997
Update Time:2025-04-19
Ethanone, 1-(3-bromophenyl)-2-(triphenylphosphoranylidene)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(3-bromophenyl)-2-(triphenylphosphoranylidene)-
- 1-(3-bromophenyl)-2-(triphenyl-λ<sup>5</sup>-phosphanylidene)ethanone
- DTXSID70476253
- 61748-02-5
-
- Inchi： 1S/C26H20BrOP/c27-22-12-10-11-21(19-22)26(28)20-29(23-13-4-1-5-14-23,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-20H
- InChI Key： OEEJFBDBJQGLRU-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)C(C=P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 458.0436
- Monoisotopic Mass: 458.04351g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 29
- Rotatable Bond Count: 5
- Complexity: 529
- 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: 17.1?2
Experimental Properties
- PSA: 17.07
Ethanone, 1-(3-bromophenyl)-2-(triphenylphosphoranylidene)- Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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