Cas no 509076-61-3 (Pyridine, 3-(3,5-dichlorophenoxy)-4-nitro-, 1-oxide)
509076-61-3 structure
Product Name:Pyridine, 3-(3,5-dichlorophenoxy)-4-nitro-, 1-oxide
CAS No:509076-61-3
MF:C11H6Cl2N2O4
MW:301.082340717316
CID:363781
PubChem ID:11255059
Update Time:2025-04-19
Pyridine, 3-(3,5-dichlorophenoxy)-4-nitro-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- Pyridine, 3-(3,5-dichlorophenoxy)-4-nitro-, 1-oxide
- 3-(3,5-dichlorophenoxy)-4-nitro-1-oxidopyridin-1-ium
- DTXSID90460311
- SCHEMBL4383031
- 4-nitro-3-(3,5-dichlorophenoxy)pyridine N-oxide
- LAVZZRKNXLGILT-UHFFFAOYSA-N
- 509076-61-3
-
- Inchi： 1S/C11H6Cl2N2O4/c12-7-3-8(13)5-9(4-7)19-11-6-14(16)2-1-10(11)15(17)18/h1-6H
- InChI Key： LAVZZRKNXLGILT-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=C(C=1)OC1C=[N+](C=CC=1[N+](=O)[O-])[O-])Cl
Computed Properties
- Exact Mass: 299.97058
- Monoisotopic Mass: 299.9704621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 318
- 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: 2.5
- Topological Polar Surface Area: 80.5?2
Experimental Properties
- PSA: 79.31
Pyridine, 3-(3,5-dichlorophenoxy)-4-nitro-, 1-oxide Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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