Cas no 20899-75-6 (Benzene, 1,1'-(1,3-propanediyl)bis[2,4-dinitro-)
20899-75-6 structure
Product Name:Benzene, 1,1'-(1,3-propanediyl)bis[2,4-dinitro-
CAS No:20899-75-6
MF:C15H12N4O8
MW:376.27778339386
CID:237999
PubChem ID:20224810
Update Time:2025-04-19
Benzene, 1,1'-(1,3-propanediyl)bis[2,4-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1-[3-(2,4-dinitrophenyl)propyl]-2,4-dinitrobenzene
- 20899-75-6
- 1,1'-(Propane-1,3-diyl)bis(2,4-dinitrobenzene)
- SCHEMBL10890268
- DTXSID40603812
- Benzene, 1,1'-(1,3-propanediyl)bis[2,4-dinitro-
-
- Inchi： 1S/C15H12N4O8/c20-16(21)12-6-4-10(14(8-12)18(24)25)2-1-3-11-5-7-13(17(22)23)9-15(11)19(26)27/h4-9H,1-3H2
- InChI Key： JROVLLHHOCLUTG-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=CC=1CCCC1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 376.06551335g/mol
- Monoisotopic Mass: 376.06551335g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 528
- 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: 4
- Topological Polar Surface Area: 183?2
Benzene, 1,1'-(1,3-propanediyl)bis[2,4-dinitro- Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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