Cas no 66414-56-0 (Benzene, 1,3-dimethoxy-5-methyl-2,4,6-trinitro-)
66414-56-0 structure
Product Name:Benzene, 1,3-dimethoxy-5-methyl-2,4,6-trinitro-
CAS No:66414-56-0
MF:C9H9N3O8
MW:287.183062314987
CID:396343
PubChem ID:15012612
Update Time:2025-04-19
Benzene, 1,3-dimethoxy-5-methyl-2,4,6-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,3-dimethoxy-5-methyl-2,4,6-trinitro-
- 1,3-dimethoxy-5-methyl-2,4,6-trinitrobenzene
- 66414-56-0
- DTXSID60566930
-
- Inchi： 1S/C9H9N3O8/c1-4-5(10(13)14)8(19-2)7(12(17)18)9(20-3)6(4)11(15)16/h1-3H3
- InChI Key： OHYFVDTVYZPUPA-UHFFFAOYSA-N
- SMILES： O(C)C1C(=C(C(=C(C)C=1[N+](=O)[O-])[N+](=O)[O-])OC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 287.03896425g/mol
- Monoisotopic Mass: 287.03896425g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 370
- 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: 1.7
- Topological Polar Surface Area: 156?2
Benzene, 1,3-dimethoxy-5-methyl-2,4,6-trinitro- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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