Cas no 49637-59-4 (Phosphonic acid,P-phenyl-, diisooctyl ester)
49637-59-4 structure
Product Name:Phosphonic acid,P-phenyl-, diisooctyl ester
CAS No:49637-59-4
MF:C22H39O3P
MW:382.517028093338
CID:331104
PubChem ID:142682
Update Time:2025-04-19
Phosphonic acid,P-phenyl-, diisooctyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid,P-phenyl-, diisooctyl ester
- bis(2-methylheptoxy)phosphorylbenzene
- Phenyl diisooctyl phosphite
- bis(2-methylheptyl) phenylphosphonate
- Phosphonic acid, phenyl-, diisopropyl ester
- DTXSID80964313
- Phosphonic acid, phenyl-, diisooctyl ester
- 49637-59-4
-
- Inchi： 1S/C22H39O3P/c1-5-7-10-14-20(3)18-24-26(23,22-16-12-9-13-17-22)25-19-21(4)15-11-8-6-2/h9,12-13,16-17,20-21H,5-8,10-11,14-15,18-19H2,1-4H3
- InChI Key： LZZUSYKKZLCQHZ-UHFFFAOYSA-N
- SMILES： P(C1C=CC=CC=1)(=O)(OCC(C)CCCCC)OCC(C)CCCCC
Computed Properties
- Exact Mass: 382.26387
- Monoisotopic Mass: 382.26368210g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 15
- Complexity: 356
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.7
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Phosphonic acid,P-phenyl-, diisooctyl ester Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
49637-59-4 (Phosphonic acid,P-phenyl-, diisooctyl ester) Related Products
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