Cas no 14173-58-1 (3-bromo-4-nitroquinoline 1-oxide)
14173-58-1 structure
Product Name:3-bromo-4-nitroquinoline 1-oxide
CAS No:14173-58-1
MF:C9H5BrN2O3
MW:269.051601171494
CID:149046
PubChem ID:84235
Update Time:2025-04-19
3-bromo-4-nitroquinoline 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 3-bromo-4-nitroquinoline 1-oxide
- 3-bromo-4-nitro-1-oxidoquinolin-1-ium
- BRN 0205508
- 3-BROMO-4-NITROQUINOLINE-1-OXIDE
- Quinoline, 3-broMo-4-nitro-, 1-oxide
- DTXSID70161814
- KVCLQGSVAXXXDG-UHFFFAOYSA-N
- 3-bromo-4-nitro-quinoline 1-oxide
- 14173-58-1
- AKOS022188678
- 3-Bromo-4-nitroquinoline-N-oxide
- CHEMBL3244961
- SCHEMBL1286290
-
- Inchi： 1S/C9H5BrN2O3/c10-7-5-11(13)8-4-2-1-3-6(8)9(7)12(14)15/h1-5H
- InChI Key： KVCLQGSVAXXXDG-UHFFFAOYSA-N
- SMILES： BrC1=C[N+](=C2C=CC=CC2=C1[N+](=O)[O-])[O-]
Computed Properties
- Exact Mass: 267.94835
- Monoisotopic Mass: 267.94835g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 258
- 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: 1.4
- Topological Polar Surface Area: 71.3?2
Experimental Properties
- Density: 1.8717 (rough estimate)
- Refractive Index: 1.5190 (estimate)
- PSA: 70.08
3-bromo-4-nitroquinoline 1-oxide Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
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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