Cas no 62150-40-7 (Pyridine, 4,4'-oxybis-, compd. with 2,4,6-trinitrophenol (1:2))
62150-40-7 structure
Product Name:Pyridine, 4,4'-oxybis-, compd. with 2,4,6-trinitrophenol (1:2)
CAS No:62150-40-7
MF:C22H14N8O15
MW:630.391164302826
CID:456264
PubChem ID:71389401
Update Time:2025-04-19
Pyridine, 4,4'-oxybis-, compd. with 2,4,6-trinitrophenol (1:2) Chemical and Physical Properties
Names and Identifiers
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- Pyridine, 4,4'-oxybis-, compd. with 2,4,6-trinitrophenol (1:2)
- 4-pyridin-4-yloxypyridine,2,4,6-trinitrophenol
- 2,4,6-Trinitrophenol--4,4'-oxydipyridine (2/1)
- DTXSID30811404
- 62150-40-7
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- Inchi: 1S/C10H8N2O.2C6H3N3O7/c1-5-11-6-2-9(1)13-10-3-7-12-8-4-10;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-8H;2*1-2,10H
- InChI Key: VNQUDWQGSLHFHU-UHFFFAOYSA-N
- SMILES: OC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].OC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].O(C1C=CN=CC=1)C1C=CN=CC=1
Computed Properties
- Exact Mass: 630.05792
- Monoisotopic Mass: 630.05786177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 45
- Rotatable Bond Count: 2
- Complexity: 415
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 350?2
Experimental Properties
- PSA: 334.31
Pyridine, 4,4'-oxybis-, compd. with 2,4,6-trinitrophenol (1:2) Related Literature
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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