Cas no 39588-70-0 (4-Chloro-1,6-naphthyridine 6-oxide)
39588-70-0 structure
Product Name:4-Chloro-1,6-naphthyridine 6-oxide
CAS No:39588-70-0
MF:C8H5ClN2O
MW:180.59110045433
CID:1080245
PubChem ID:21825488
Update Time:2025-04-20
4-Chloro-1,6-naphthyridine 6-oxide Chemical and Physical Properties
Names and Identifiers
-
- 4-Chloro-1,6-naphthyridine 6-oxide
- DB-324927
- 4-chloro-1,6-naphthyridin-6-ium-6-olate
- 39588-70-0
-
- Inchi： 1S/C8H5ClN2O/c9-7-1-3-10-8-2-4-11(12)5-6(7)8/h1-5H
- InChI Key： USFIPKISRFEHFN-UHFFFAOYSA-N
- SMILES： ClC1=CC=NC2C=C[N+](=CC=21)[O-]
Computed Properties
- Exact Mass: 180.0090405g/mol
- Monoisotopic Mass: 180.0090405g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 167
- 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: 0.8
- Topological Polar Surface Area: 38.4?2
4-Chloro-1,6-naphthyridine 6-oxide Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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