Cas no 72109-64-9 (Phenol, 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-nitro-)
![Phenol, 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-nitro- structure](https://ossimg.kuujia.com/scimg/72500/72109-64-9x500.png)
72109-64-9 structure
Product Name:Phenol, 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-nitro-
CAS No:72109-64-9
MF:C22H21NO5
MW:379.405846357346
CID:544494
PubChem ID:15574249
Update Time:2025-04-19
Phenol, 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-nitro-
- 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-nitrophenol
- DTXSID00574650
- 2,2'-[(2-Hydroxy-5-nitro-1,3-phenylene)bis(methylene)]bis(4-methylphenol)
- 72109-64-9
-
- Inchi： 1S/C22H21NO5/c1-13-3-5-20(24)15(7-13)9-17-11-19(23(27)28)12-18(22(17)26)10-16-8-14(2)4-6-21(16)25/h3-8,11-12,24-26H,9-10H2,1-2H3
- InChI Key： FKTFTXMIYQAVGY-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1CC1C(=CC=C(C)C=1)O)[N+](=O)[O-])CC1C(=CC=C(C)C=1)O
Computed Properties
- Exact Mass: 379.14203
- Monoisotopic Mass: 379.14197277g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 486
- 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: 5.3
- Topological Polar Surface Area: 107?2
Experimental Properties
- PSA: 103.83
Phenol, 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-nitro- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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