Cas no 103095-41-6 (Benzene,1-ethoxy-2-methoxy-4-methyl-5-nitro-)
103095-41-6 structure
Product Name:Benzene,1-ethoxy-2-methoxy-4-methyl-5-nitro-
CAS No:103095-41-6
MF:C10H13NO4
MW:211.214523077011
CID:125457
PubChem ID:57346292
Update Time:2025-04-18
Benzene,1-ethoxy-2-methoxy-4-methyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-ethoxy-2-methoxy-4-methyl-5-nitro-
- 1-Ethoxy-2-methoxy-4-methyl-5-nitrobenzene
- Toluene, 4-ethoxy-5-methoxy-2-nitro- (6CI)
- 4-Aethoxy-5-methoxy-2-nitro-toluol
- 4-ethoxy-5-methoxy-2-nitro-toluene
- ACMC-1BV5E
- AG-D-13341
- CTK4A1734
- 103095-41-6
- DTXSID80721145
-
- Inchi： 1S/C10H13NO4/c1-4-15-10-6-8(11(12)13)7(2)5-9(10)14-3/h5-6H,4H2,1-3H3
- InChI Key： LRUXYTLZVDOXBK-UHFFFAOYSA-N
- SMILES： O(CC)C1=CC(=C(C)C=C1OC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 211.08449
- Monoisotopic Mass: 211.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 216
- 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: 2.4
- Topological Polar Surface Area: 64.3?2
Experimental Properties
- PSA: 61.6
- LogP: 2.83370
Benzene,1-ethoxy-2-methoxy-4-methyl-5-nitro- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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