Cas no 1523-09-7 (Phenol, 2,6-dinitro-,1-acetate)
1523-09-7 structure
Product Name:Phenol, 2,6-dinitro-,1-acetate
CAS No:1523-09-7
MF:C8H6N2O6
MW:226.143042087555
CID:215782
PubChem ID:325697
Update Time:2025-04-19
Phenol, 2,6-dinitro-,1-acetate Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2,6-dinitro-,1-acetate
- (2,6-dinitrophenyl) acetate
- DTXSID60315485
- 1523-09-7
- NSC-294823
- NSC294823
-
- Inchi： 1S/C8H6N2O6/c1-5(11)16-8-6(9(12)13)3-2-4-7(8)10(14)15/h2-4H,1H3
- InChI Key： FNOLBMVTCDXXSP-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C(=CC=CC=1[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 226.02258
- Monoisotopic Mass: 226.02258592g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 285
- 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: 1.3
- Topological Polar Surface Area: 118?2
Experimental Properties
- PSA: 112.58
Phenol, 2,6-dinitro-,1-acetate Related Literature
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1. The effect of leaving group tendency in the chymotrypsin-catalysed hydrolysis of aryl acetatesAnthony R. Butler,Ian H. Robertson,Lawrence A. Rudkin J. Chem. Soc. Perkin Trans. 2 1977 351
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2. Nucleophilic and general base catalysis by pyridine and methylpyridines in the hydrolysis of aryl acetatesAnthony R. Butler,Ian H. Robertson J. Chem. Soc. Perkin Trans. 2 1975 660
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3. 15N nuclear polarisation in nitration and related reactions. Part 7. The mechanisms of rearrangement of 4-methyl-4-nitrocyclohexa-2,5-dienonesJohn H. Ridd,Susan Trevellick,John P. B. Sandall J. Chem. Soc. Perkin Trans. 2 1992 1535
1523-09-7 (Phenol, 2,6-dinitro-,1-acetate) Related Products
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