Cas no 4831-62-3 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-4-nitro-1-oxidoquinolin-1-ium
- SMR000427678
- 2-Methyl-4-nitro-quinoline 1-oxide
- 4-Nitroquinaldine 1-oxide
- 4-Nitroquinaldine N-oxide
- CHEMBL1364999
- NCGC00246402-01
- 2-Methyl-4-nitroquinoline 1-oxide
- WLN: T66 BNJ BO C1 ENW
- NSC144470
- 2-methyl-4-nitro-1-oxidanidyl-quinolin-1-ium
- 2-methyl-4-nitroquinoline-N-oxide
- 2-Methyl-4-nitroquinoline N-oxide
- NSC-19646
- BDBM63785
- Quinoline, 2-methyl-4-nitro, 1-oxide
- SR-01000147504-1
- 4831-62-3
- NCGC00246402-02
- SCHEMBL5157864
- cid_78545
- NSC19646
- AB00653988-09
- Methyl-4-nitroquinoline 1-oxide, 2-
- DS-013447
- 4-Nitroquinaldine-N-oxide
- NSC-144470
- 2-methyl-4-nitro-1-oxido-quinolin-1-ium
- 2-Methyl-4-nitroquinoline-1-oxide
- HMS2785O10
- AKOS001712642
- AB00653988-08
- SR-01000147504
- MLS001049303
- DTXSID40197488
- Y8LXX7Q5PC
-
-
- Inchi： 1S/C10H8N2O3/c1-7-6-10(12(14)15)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
- InChI Key： YRPLTHBJMGSMKH-UHFFFAOYSA-N
- SMILES： [O-][N+]1C(C)=CC(=C2C=CC=CC=12)[N+](=O)[O-]
Computed Properties
- Exact Mass: 204.05349212g/mol
- Monoisotopic Mass: 204.05349212g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 254
- 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: 71.3?2
Experimental Properties
- Density: 1.3244 (rough estimate)
- Melting Point: 157°C (rough estimate)
- Boiling Point: 342.67°C (rough estimate)
- Refractive Index: 1.5910 (estimate)
Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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