Cas no 66583-77-5 (1-Methyl-3,5-dinitro-2-phenoxybenzene)
66583-77-5 structure
Product Name:1-Methyl-3,5-dinitro-2-phenoxybenzene
CAS No:66583-77-5
MF:C13H10N2O5
MW:274.22890329361
CID:2796102
PubChem ID:15706869
Update Time:2025-04-21
1-Methyl-3,5-dinitro-2-phenoxybenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-Methyl-3,5-dinitro-2-phenoxybenzene
- 3,5-dinitro-2-phenyloxytoluene
- 66583-77-5
- DTXSID10577091
- SCHEMBL11512855
- WQHPWSOXUFMYRJ-UHFFFAOYSA-N
-
- Inchi： 1S/C13H10N2O5/c1-9-7-10(14(16)17)8-12(15(18)19)13(9)20-11-5-3-2-4-6-11/h2-8H,1H3
- InChI Key： WQHPWSOXUFMYRJ-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C1C(=CC(=CC=1C)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 274.05897142Da
- Monoisotopic Mass: 274.05897142Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 359
- 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: 3.5
- Topological Polar Surface Area: 101?2
1-Methyl-3,5-dinitro-2-phenoxybenzene Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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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