Cas no 130400-94-1 (Phenol, 2-(1-methylethoxy)-5-nitro-)
130400-94-1 structure
Product Name:Phenol, 2-(1-methylethoxy)-5-nitro-
CAS No:130400-94-1
MF:C9H11NO4
MW:197.187942743301
CID:1225814
PubChem ID:14687427
Update Time:2025-04-20
Phenol, 2-(1-methylethoxy)-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-(1-methylethoxy)-5-nitro-
- 3-hydroxy-4-isopropoxynitrobenzene
- 2-isopropoxy-5-nitro-phenol
- DB-348265
- SCHEMBL2039588
- 130400-94-1
- RTSXWISLAZGALQ-UHFFFAOYSA-N
- 2-Isopropoxy-5-nitrophenol
-
- Inchi： 1S/C9H11NO4/c1-6(2)14-9-4-3-7(10(12)13)5-8(9)11/h3-6,11H,1-2H3
- InChI Key： RTSXWISLAZGALQ-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1O)[N+](=O)[O-])C(C)C
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: 2
- Complexity: 202
- 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: 2.8
- Topological Polar Surface Area: 75.3?2
Experimental Properties
- PSA: 72.6
Phenol, 2-(1-methylethoxy)-5-nitro- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
130400-94-1 (Phenol, 2-(1-methylethoxy)-5-nitro-) Related Products
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