Cas no 2548-95-0 (Benzene, 1-(3-methylphenoxy)-2,4-dinitro-)
2548-95-0 structure
Product Name:Benzene, 1-(3-methylphenoxy)-2,4-dinitro-
CAS No:2548-95-0
MF:C13H10N2O5
MW:274.22890329361
CID:1422919
PubChem ID:13761085
Update Time:2025-04-20
Benzene, 1-(3-methylphenoxy)-2,4-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(3-methylphenoxy)-2,4-dinitro-
- 1-(3-methylphenoxy)-2,4-dinitrobenzene
- SCHEMBL13400264
- DTXSID00548674
- 2548-95-0
-
- Inchi： 1S/C13H10N2O5/c1-9-3-2-4-11(7-9)20-13-6-5-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3
- InChI Key： PKVNGIPQSIXBOT-UHFFFAOYSA-N
- SMILES： O(C1=CC=CC(C)=C1)C1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 274.059
- Monoisotopic Mass: 274.05897142g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 365
- 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: 3.5
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 95.51
Benzene, 1-(3-methylphenoxy)-2,4-dinitro- Related Literature
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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4. 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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