Cas no 62268-99-9 (Phenol, 4,4'-(1-methylethylidene)bis[2-methyl-6-nitro-)
62268-99-9 structure
Product Name:Phenol, 4,4'-(1-methylethylidene)bis[2-methyl-6-nitro-
CAS No:62268-99-9
MF:C17H18N2O6
MW:346.334624767303
CID:451674
PubChem ID:71388080
Update Time:2025-04-19
Phenol, 4,4'-(1-methylethylidene)bis[2-methyl-6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 4-[2-(4-hydroxy-3-methyl-5-nitrophenyl)propan-2-yl]-2-methyl-6-nitrophenol
- 62268-99-9
- DTXSID50810156
- 4,4'-(Propane-2,2-diyl)bis(2-methyl-6-nitrophenol)
- Phenol, 4,4'-(1-methylethylidene)bis[2-methyl-6-nitro-
-
- Inchi： 1S/C17H18N2O6/c1-9-5-11(7-13(15(9)20)18(22)23)17(3,4)12-6-10(2)16(21)14(8-12)19(24)25/h5-8,20-21H,1-4H3
- InChI Key： OSYXXCBDPLVCQM-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1C)C(C)(C)C1C=C(C(=C(C)C=1)O)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 346.11654
- Monoisotopic Mass: 346.11648630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 470
- 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: 5.5
- Topological Polar Surface Area: 132?2
Experimental Properties
- PSA: 126.74
Phenol, 4,4'-(1-methylethylidene)bis[2-methyl-6-nitro- Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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