Cas no 90264-18-9 (4-Quinolinecarbonitrile, 2-bromo-, 1-oxide)
90264-18-9 structure
Product Name:4-Quinolinecarbonitrile, 2-bromo-, 1-oxide
CAS No:90264-18-9
MF:C10H5BrN2O
MW:249.063501119614
CID:790685
PubChem ID:71429535
Update Time:2025-04-19
4-Quinolinecarbonitrile, 2-bromo-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 4-Quinolinecarbonitrile, 2-bromo-, 1-oxide
- 2-bromo-1-oxidoquinolin-1-ium-4-carbonitrile
- DTXSID50848212
- 90264-18-9
- 2-Bromo-1-oxo-1lambda~5~-quinoline-4-carbonitrile
-
- Inchi： 1S/C10H5BrN2O/c11-10-5-7(6-12)8-3-1-2-4-9(8)13(10)14/h1-5H
- InChI Key： ZCUHDKXJTDNGGE-UHFFFAOYSA-N
- SMILES： BrC1=CC(C#N)=C2C=CC=CC2=[N+]1[O-]
Computed Properties
- Exact Mass: 247.95853g/mol
- Monoisotopic Mass: 247.95853g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 262
- 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: 1.9
- Topological Polar Surface Area: 49.2?2
4-Quinolinecarbonitrile, 2-bromo-, 1-oxide Related Literature
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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