Cas no 5032-54-2 (Benzonitrile, 4-(diphenylphosphinyl)-)
5032-54-2 structure
Product Name:Benzonitrile, 4-(diphenylphosphinyl)-
CAS No:5032-54-2
MF:C19H14NOP
MW:303.294325351715
CID:365252
PubChem ID:23631656
Update Time:2025-04-19
Benzonitrile, 4-(diphenylphosphinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-(diphenylphosphinyl)-
- 4-diphenylphosphorylbenzonitrile
- DTXSID80635258
- 4-(Diphenylphosphoryl)benzonitrile
- 5032-54-2
- SCHEMBL18614123
-
- Inchi： 1S/C19H14NOP/c20-15-16-11-13-19(14-12-16)22(21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H
- InChI Key： HACFJDUFXXBVMD-UHFFFAOYSA-N
- SMILES： P(C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC(C#N)=CC=1)=O
Computed Properties
- Exact Mass: 303.08142
- Monoisotopic Mass: 303.081301068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 423
- 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: 2.5
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.86
- LogP: 3.19768
Benzonitrile, 4-(diphenylphosphinyl)- Related Literature
-
Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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