Cas no 88166-74-9 (Benzene, 1,3-bis(methoxymethyl)-4,6-dimethyl-2,5-dinitro-)
88166-74-9 structure
Product Name:Benzene, 1,3-bis(methoxymethyl)-4,6-dimethyl-2,5-dinitro-
CAS No:88166-74-9
MF:C12H16N2O6
MW:284.265243530273
CID:642626
PubChem ID:71410399
Update Time:2025-04-19
Benzene, 1,3-bis(methoxymethyl)-4,6-dimethyl-2,5-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,3-bis(methoxymethyl)-4,6-dimethyl-2,5-dinitro-
- 1,5-bis(methoxymethyl)-2,4-dimethyl-3,6-dinitrobenzene
- 88166-74-9
- 1,3-Bis(methoxymethyl)-4,6-dimethyl-2,5-dinitrobenzene
- DTXSID40830080
-
- Inchi： 1S/C12H16N2O6/c1-7-9(5-19-3)12(14(17)18)10(6-20-4)8(2)11(7)13(15)16/h5-6H2,1-4H3
- InChI Key： PYQSALVUHCKRKS-UHFFFAOYSA-N
- SMILES： O(C)CC1C(=C(COC)C(C)=C(C=1C)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 284.10083623g/mol
- Monoisotopic Mass: 284.10083623g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 333
- 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: 1.6
- Topological Polar Surface Area: 110?2
Benzene, 1,3-bis(methoxymethyl)-4,6-dimethyl-2,5-dinitro- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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2. 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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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