Cas no 10473-47-9 (Benzenemethanol, 2-ethoxy-4-nitro-)
10473-47-9 structure
Product Name:Benzenemethanol, 2-ethoxy-4-nitro-
CAS No:10473-47-9
MF:C9H11NO4
MW:197.187942743301
CID:1146637
PubChem ID:58866255
Update Time:2025-04-20
Benzenemethanol, 2-ethoxy-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 2-ethoxy-4-nitro-
- (2-ethoxy-4-nitrophenyl)methanol
- 2-ethoxy-4-nitroBenzenemethanol
- 10473-47-9
- SCHEMBL12190689
- DA-26281
- DTXSID40730455
-
- Inchi： 1S/C9H11NO4/c1-2-14-9-5-8(10(12)13)4-3-7(9)6-11/h3-5,11H,2,6H2,1H3
- InChI Key： LDIYSOPBNFWUIH-UHFFFAOYSA-N
- SMILES： O(CC)C1C=C(C=CC=1CO)[N+](=O)[O-]
Computed Properties
- Exact Mass: 197.06883
- Monoisotopic Mass: 197.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 192
- 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: 1.2
- Topological Polar Surface Area: 75.3?2
Experimental Properties
- PSA: 72.6
- LogP: 2.00900
Benzenemethanol, 2-ethoxy-4-nitro- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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