Cas no 6945-81-9 (Benzene,1,3-dinitro-2-(3-nitrophenoxy)-)
6945-81-9 structure
Product Name:Benzene,1,3-dinitro-2-(3-nitrophenoxy)-
CAS No:6945-81-9
MF:C12H7N3O7
MW:305.199882745743
CID:526221
PubChem ID:243226
Update Time:2025-04-19
Benzene,1,3-dinitro-2-(3-nitrophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,3-dinitro-2-(3-nitrophenoxy)-
- 1,3-dinitro-2-(3-nitrophenoxy)benzene
- 6945-81-9
- DTXSID10287805
- NSC 52577
- NSC-52577
- NSC52577
-
- Inchi： 1S/C12H7N3O7/c16-13(17)8-3-1-4-9(7-8)22-12-10(14(18)19)5-2-6-11(12)15(20)21/h1-7H
- InChI Key： NZSFSIIPYKWUNS-UHFFFAOYSA-N
- SMILES： O(C1C=CC=C(C=1)[N+](=O)[O-])C1C(=CC=CC=1[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 305.02841
- Monoisotopic Mass: 305.02839957g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 420
- 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: 2.9
- Topological Polar Surface Area: 147?2
Experimental Properties
- PSA: 138.65
Benzene,1,3-dinitro-2-(3-nitrophenoxy)- Related Literature
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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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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
6945-81-9 (Benzene,1,3-dinitro-2-(3-nitrophenoxy)-) Related Products
- 577-72-0(4-Methoxy-3-nitroaniline)
- 2216-12-8(1-nitro-2-phenoxybenzene)
- 6313-37-7(2,5-Dimethoxy-4-nitroaniline)
- 4920-84-7(2,4-Dimethoxy-1-nitrobenzene)
- 99-59-2(2-Methoxy-5-nitroaniline)
- 1568-70-3(4-Methoxy-2-nitrophenol)
- 14227-18-0(1,3,5-Trimethoxy-2-nitrobenzene)
- 15174-02-4(4-Methoxy-3-nitrophenol)
- 16292-95-8(3-Methoxy-4-nitrophenol)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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