Cas no 58149-51-2 (Phenol, 3-nitro-4-[3-(4-nitrophenoxy)propoxy]-)
![Phenol, 3-nitro-4-[3-(4-nitrophenoxy)propoxy]- structure](https://ossimg.kuujia.com/scimg/58500/58149-51-2x500.png)
58149-51-2 structure
Product Name:Phenol, 3-nitro-4-[3-(4-nitrophenoxy)propoxy]-
CAS No:58149-51-2
MF:C15H14N2O7
MW:334.280864238739
CID:342966
PubChem ID:14595396
Update Time:2025-04-19
Phenol, 3-nitro-4-[3-(4-nitrophenoxy)propoxy]- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-nitro-4-[3-(4-nitrophenoxy)propoxy]-
- 3-nitro-4-[3-(4-nitrophenoxy)propoxy]phenol
- 58149-51-2
- DTXSID40562016
-
- Inchi： 1S/C15H14N2O7/c18-12-4-7-15(14(10-12)17(21)22)24-9-1-8-23-13-5-2-11(3-6-13)16(19)20/h2-7,10,18H,1,8-9H2
- InChI Key： AGMMQQKGXOSQGP-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1[N+](=O)[O-])O)CCCOC1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 334.08012
- Monoisotopic Mass: 334.08010079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 415
- 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: 3.2
- Topological Polar Surface Area: 130?2
Experimental Properties
- PSA: 124.97
Phenol, 3-nitro-4-[3-(4-nitrophenoxy)propoxy]- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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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