Cas no 647843-25-2 (Benzenemethanol, 5-ethoxy-2-nitro-)
647843-25-2 structure
Product Name:Benzenemethanol, 5-ethoxy-2-nitro-
CAS No:647843-25-2
MF:C9H11NO4
MW:197.187942743301
CID:416700
PubChem ID:45091604
Update Time:2025-04-19
Benzenemethanol, 5-ethoxy-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 5-ethoxy-2-nitro-
- (5-ethoxy-2-nitrophenyl)methanol
- Benzenemethanol, 5-ethoxy-2-nitro- (9CI)
- FT-0706699
- 647843-25-2
- SCHEMBL5005582
- (5-ethoxy-2-nitro-phenyl)-methanol
- GVXPSPCAZUNPFS-UHFFFAOYSA-N
- DTXSID30666870
-
- Inchi： 1S/C9H11NO4/c1-2-14-8-3-4-9(10(12)13)7(5-8)6-11/h3-5,11H,2,6H2,1H3
- InChI Key： GVXPSPCAZUNPFS-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC(=C(CO)C=1)[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
Benzenemethanol, 5-ethoxy-2-nitro- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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