Cas no 74674-85-4 (Benzenepentadecanoicacid, 2-(iodo-131I)- (9CI))
74674-85-4 structure
Product Name:Benzenepentadecanoicacid, 2-(iodo-131I)- (9CI)
CAS No:74674-85-4
MF:C21H33IO2
MW:444.38999915123
CID:568440
PubChem ID:3018535
Update Time:2025-04-19
Benzenepentadecanoicacid, 2-(iodo-131I)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzenepentadecanoicacid, 2-(iodo-131I)- (9CI)
- 15-(2-Iodophenyl)pentadecanoic acid
- omega-(2-iodophenyl)pentadecanoic acid
- DTXSID00996196
- 74674-85-4
- 15-(iodophenyl)pentadecanoic acid
- Ortho-ppa
- Benzenepentadecanoic acid, 2-(iodo-131I)-
- SCHEMBL290082
-
- Inchi： 1S/C21H33IO2/c22-20-17-14-13-16-19(20)15-11-9-7-5-3-1-2-4-6-8-10-12-18-21(23)24/h13-14,16-17H,1-12,15,18H2,(H,23,24)
- InChI Key： IBPKEXDFQZNTHQ-UHFFFAOYSA-N
- SMILES： IC1C=CC=CC=1CCCCCCCCCCCCCCC(=O)O
Computed Properties
- Exact Mass: 444.153
- Monoisotopic Mass: 444.153
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 15
- Complexity: 306
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.256
- Boiling Point: 509.4°C at 760 mmHg
- Flash Point: 261.9°C
- Refractive Index: 1.537
Benzenepentadecanoicacid, 2-(iodo-131I)- (9CI) 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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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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