Cas no 105868-35-7 ([1,1'-Biphenyl]-4-carboxylicacid, 2',4'-dinitro-)
![[1,1'-Biphenyl]-4-carboxylicacid, 2',4'-dinitro- structure](https://ossimg.kuujia.com/scimg/106000/105868-35-7x500.png)
105868-35-7 structure
Product Name:[1,1'-Biphenyl]-4-carboxylicacid, 2',4'-dinitro-
CAS No:105868-35-7
MF:C13H12N2O2
MW:228.246582984924
CID:126879
PubChem ID:53426140
Update Time:2025-04-18
[1,1'-Biphenyl]-4-carboxylicacid, 2',4'-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Biphenyl]-4-carboxylicacid, 2',4'-dinitro-
- 4-(2,4-Diaminophenyl)benzoic acid
- 4-(2,4-dinitrophenyl)benzoic acid
- [1,1'-Biphenyl]-4-carboxylicacid,2',4'-dinitro
- 4-(3,4-Dinitrophenyl)benzoic acid
- 105868-35-7
-
- Inchi： 1S/C13H12N2O2/c14-10-5-6-11(12(15)7-10)8-1-3-9(4-2-8)13(16)17/h1-7H,14-15H2,(H,16,17)
- InChI Key： ZRUXILPQKDPPHA-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(=CC=1)C1C=CC(=CC=1N)N)=O
Computed Properties
- Exact Mass: 228.09000
- Monoisotopic Mass: 228.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 421
- 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: 2.7
- Topological Polar Surface Area: 89.3?2
Experimental Properties
- PSA: 89.34000
- LogP: 3.37860
[1,1'-Biphenyl]-4-carboxylicacid, 2',4'-dinitro- Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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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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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
105868-35-7 ([1,1'-Biphenyl]-4-carboxylicacid, 2',4'-dinitro-) Related Products
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