Cas no 10242-23-6 (Benzene, 2-(1-methylethoxy)-1,3,5-trinitro-)
10242-23-6 structure
Product Name:Benzene, 2-(1-methylethoxy)-1,3,5-trinitro-
CAS No:10242-23-6
MF:C9H9N3O7
MW:271.183662176132
CID:1132861
PubChem ID:13463048
Update Time:2025-04-20
Benzene, 2-(1-methylethoxy)-1,3,5-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-(1-methylethoxy)-1,3,5-trinitro-
- 1,3,5-trinitro-2-propan-2-yloxybenzene
- DTXSID30541451
- 1,3,5-Trinitro-2-[(propan-2-yl)oxy]benzene
- 10242-23-6
-
- Inchi： 1S/C9H9N3O7/c1-5(2)19-9-7(11(15)16)3-6(10(13)14)4-8(9)12(17)18/h3-5H,1-2H3
- InChI Key： YSVMUZLMYXEXGT-UHFFFAOYSA-N
- SMILES： O(C1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(C)C
Computed Properties
- Exact Mass: 271.04407
- Monoisotopic Mass: 271.04404963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 346
- 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: 1.5
- Topological Polar Surface Area: 147?2
Experimental Properties
- PSA: 138.65
Benzene, 2-(1-methylethoxy)-1,3,5-trinitro- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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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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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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