Cas no 651728-03-9 (1,1':4',1''-Terphenyl, 4''-methyl-3-nitro-)
651728-03-9 structure
Product Name:1,1':4',1''-Terphenyl, 4''-methyl-3-nitro-
CAS No:651728-03-9
MF:C19H15NO2
MW:289.327904939651
CID:404082
PubChem ID:71376657
Update Time:2025-04-19
1,1':4',1''-Terphenyl, 4''-methyl-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,1':4',1''-Terphenyl, 4''-methyl-3-nitro-
- 1-[4-(4-methylphenyl)phenyl]-3-nitrobenzene
- 3~4~-Methyl-1~3~-nitro-1~1~,2~1~:2~4~,3~1~-terphenyl
- DTXSID90799330
- 651728-03-9
-
- Inchi： 1S/C19H15NO2/c1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18-3-2-4-19(13-18)20(21)22/h2-13H,1H3
- InChI Key： MRBOQXOALIACBT-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=CC(=C1)C1C=CC(=CC=1)C1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 289.11035
- Monoisotopic Mass: 289.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 362
- 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: 5.9
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
1,1':4',1''-Terphenyl, 4''-methyl-3-nitro- Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
651728-03-9 (1,1':4',1''-Terphenyl, 4''-methyl-3-nitro-) Related Products
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