Cas no 61748-03-6 (Benzonitrile, 3-[(triphenylphosphoranylidene)acetyl]-)
![Benzonitrile, 3-[(triphenylphosphoranylidene)acetyl]- structure](https://ossimg.kuujia.com/scimg/62000/61748-03-6x500.png)
61748-03-6 structure
Product Name:Benzonitrile, 3-[(triphenylphosphoranylidene)acetyl]-
CAS No:61748-03-6
MF:C27H20NOP
MW:405.427567481995
CID:467655
PubChem ID:71392677
Update Time:2025-04-19
Benzonitrile, 3-[(triphenylphosphoranylidene)acetyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3-[(triphenylphosphoranylidene)acetyl]-
- 3-[2-(triphenyl-λ<sup>5</sup>-phosphanylidene)acetyl]benzonitrile
- DTXSID80814480
- 61748-03-6
- 3-[(Triphenyl-lambda~5~-phosphanylidene)acetyl]benzonitrile
-
- Inchi： 1S/C27H20NOP/c28-20-22-11-10-12-23(19-22)27(29)21-30(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-19,21H
- InChI Key： CXTWRZRFRHDSBZ-UHFFFAOYSA-N
- SMILES： P(=CC(C1C=CC=C(C#N)C=1)=O)(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 405.1284
- Monoisotopic Mass: 405.128251259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 30
- Rotatable Bond Count: 5
- Complexity: 618
- 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
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.86
Benzonitrile, 3-[(triphenylphosphoranylidene)acetyl]- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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