Cas no 3761-21-5 (1-(3,4-dimethylphenoxy)-2,4-dinitrobenzene)
3761-21-5 structure
Product Name:1-(3,4-dimethylphenoxy)-2,4-dinitrobenzene
CAS No:3761-21-5
MF:C14H12N2O5
MW:288.255483627319
CID:1485006
PubChem ID:239723
Update Time:2025-04-21
1-(3,4-dimethylphenoxy)-2,4-dinitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-(3,4-dimethylphenoxy)-2,4-dinitrobenzene
- 4-(2,4-dinitrophenoxy)-1,2-dimethylbenzene
- AKOS000741426
- NSC-45101
- NSC45101
- DTXSID70286374
- Oprea1_000046
- Oprea1_412804
- STL169077
- 3761-21-5
-
- Inchi： 1S/C14H12N2O5/c1-9-3-5-12(7-10(9)2)21-14-6-4-11(15(17)18)8-13(14)16(19)20/h3-8H,1-2H3
- InChI Key： WXOISAJGDXAIEE-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])C1C=CC(C)=C(C)C=1
Computed Properties
- Exact Mass: 288.07466
- Monoisotopic Mass: 288.07462149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 392
- 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: 3.8
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 95.51
1-(3,4-dimethylphenoxy)-2,4-dinitrobenzene Related Literature
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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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
-
Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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