Cas no 62529-20-8 (Phenol, 4-hexyl-2-nitro-)
Phenol, 4-hexyl-2-nitro- structure
Product Name:Phenol, 4-hexyl-2-nitro-
CAS No:62529-20-8
MF:C12H17NO3
MW:223.268283605576
CID:441444
PubChem ID:19021146
Update Time:2025-04-19
Phenol, 4-hexyl-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-hexyl-2-nitro-
- 4-hexyl-2-nitrophenol
- 62529-20-8
- 2-nitro-4-hexylphenol
- SCHEMBL9001607
- JSJFVHBRFIWUDL-UHFFFAOYSA-N
- DTXSID30597458
-
- Inchi： 1S/C12H17NO3/c1-2-3-4-5-6-10-7-8-12(14)11(9-10)13(15)16/h7-9,14H,2-6H2,1H3
- InChI Key： JSJFVHBRFIWUDL-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1[N+](=O)[O-])CCCCCC
Computed Properties
- Exact Mass: 223.12091
- Monoisotopic Mass: 223.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 215
- 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
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 63.37
Phenol, 4-hexyl-2-nitro- Related Literature
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
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
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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