Cas no 103095-42-7 (Benzene,1-ethoxy-2-methoxy-5-methyl-4-nitro-)
103095-42-7 structure
Product Name:Benzene,1-ethoxy-2-methoxy-5-methyl-4-nitro-
CAS No:103095-42-7
MF:C10H13NO4
MW:211.214523077011
CID:125458
PubChem ID:57346293
Update Time:2025-04-18
Benzene,1-ethoxy-2-methoxy-5-methyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-ethoxy-2-methoxy-5-methyl-4-nitro-
- 1-Ethoxy-2-methoxy-5-methyl-4-nitrobenzene
- Toluene, 5-ethoxy-4-methoxy-2-nitro- (6CI)
- 5-Aethoxy-4-methoxy-2-nitro-toluol
- 5-ethoxy-4-methoxy-2-nitro-toluene
- ACMC-20m5zn
- AG-D-13342
- CTK4A1735
- DTXSID40721146
- 103095-42-7
-
- Inchi： 1S/C10H13NO4/c1-4-15-10-5-7(2)8(11(12)13)6-9(10)14-3/h5-6H,4H2,1-3H3
- InChI Key： UKGMQDQPJYBPPV-UHFFFAOYSA-N
- SMILES： O(CC)C1C(=CC(=C(C)C=1)[N+](=O)[O-])OC
Computed Properties
- Exact Mass: 211.084458g/mol
- Monoisotopic Mass: 211.084458g/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
- Molecular Weight: 211.21g/mol
- XLogP3: 2.4
- Topological Polar Surface Area: 64.3?2
Experimental Properties
- PSA: 64.28000
- LogP: 2.83370
Benzene,1-ethoxy-2-methoxy-5-methyl-4-nitro- Related Literature
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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