Cas no 119764-79-3 (Dodecanoic acid,4-(iodo-125I)phenyl ester (9CI))
119764-79-3 structure
Product Name:Dodecanoic acid,4-(iodo-125I)phenyl ester (9CI)
CAS No:119764-79-3
MF:C18H27IO2
MW:400.310410737991
CID:167101
PubChem ID:147819
Update Time:2025-04-19
Dodecanoic acid,4-(iodo-125I)phenyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Dodecanoic acid,4-(iodo-125I)phenyl ester (9CI)
- 2-(4-iodophenyl)dodecanoate
- 4-iodophenyllaurate
- 4-(~125~I)iodophenyl dodecanoate
- Dodecanoic acid, 4-(iodo-125I)phenyl ester
- p-Iodophenyllauric acid
- DTXSID00923104
- (4-(125I)iodanylphenyl) dodecanoate
- 119764-79-3
-
- Inchi: 1S/C18H27IO2/c1-2-3-4-5-6-7-8-9-10-11-18(20)21-17-14-12-16(19)13-15-17/h12-15H,2-11H2,1H3/i19-2
- InChI Key: RTVTZBRXNQFAQG-GBVACIEGSA-N
- SMILES: [125I]C1C=CC(=CC=1)OC(CCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 402.10521
- Monoisotopic Mass: 400.105729
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 12
- Complexity: 260
- 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
- Topological Polar Surface Area: 26.3
- XLogP3: 7.5
Experimental Properties
- Density: 1.28
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.528
- PSA: 26.3
Dodecanoic acid,4-(iodo-125I)phenyl ester (9CI) Related Literature
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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