Cas no 62122-57-0 (Benzene, 1,1',1''-ethylidynetris[4-nitro-)
62122-57-0 structure
Product Name:Benzene, 1,1',1''-ethylidynetris[4-nitro-
CAS No:62122-57-0
MF:C20H15N3O6
MW:393.349604845047
CID:457265
PubChem ID:4492908
Update Time:2025-04-19
Benzene, 1,1',1''-ethylidynetris[4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1-[1,1-bis(4-nitrophenyl)ethyl]-4-nitrobenzene
- Benzene, 1,1',1''-ethylidynetris[4-nitro-
- 62122-57-0
- DTXSID60403710
-
- Inchi： 1S/C20H15N3O6/c1-20(14-2-8-17(9-3-14)21(24)25,15-4-10-18(11-5-15)22(26)27)16-6-12-19(13-7-16)23(28)29/h2-13H,1H3
- InChI Key： IDSYLKGBPDUPNO-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)C(C)(C1C=CC(=CC=1)[N+](=O)[O-])C1C=CC(=CC=1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 393.09615
- Monoisotopic Mass: 393.09608521g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 3
- Complexity: 518
- 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: 138?2
Experimental Properties
- PSA: 129.42
Benzene, 1,1',1''-ethylidynetris[4-nitro- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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