Cas no 56679-04-0 (1-((4-nitrobenzyloxy)methyl)-4-nitrobenzene)
56679-04-0 structure
Product Name:1-((4-nitrobenzyloxy)methyl)-4-nitrobenzene
CAS No:56679-04-0
MF:C14H12N2O5
MW:288.255483627319
CID:945777
PubChem ID:11335211
Update Time:2025-04-19
1-((4-nitrobenzyloxy)methyl)-4-nitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-((4-nitrobenzyloxy)methyl)-4-nitrobenzene
- 1-nitro-4-[(4-nitrophenyl)methoxymethyl]benzene
- DTXSID90462774
- CHEMBL4459502
- DB-310776
- SCHEMBL37463
- 56679-04-0
- p-nitrobenzyl ether
-
- Inchi： 1S/C14H12N2O5/c17-15(18)13-5-1-11(2-6-13)9-21-10-12-3-7-14(8-4-12)16(19)20/h1-8H,9-10H2
- InChI Key： VJJRVNGOHNKPHB-UHFFFAOYSA-N
- SMILES： O(CC1C=CC(=CC=1)[N+](=O)[O-])CC1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 288.07462149g/mol
- Monoisotopic Mass: 288.07462149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 315
- 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: 2.7
- Topological Polar Surface Area: 101?2
1-((4-nitrobenzyloxy)methyl)-4-nitrobenzene Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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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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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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