Cas no 1083181-45-6 (3-Bromo-7-chlorocinnoline)
3-Bromo-7-chlorocinnoline structure
Product Name:3-Bromo-7-chlorocinnoline
CAS No:1083181-45-6
MF:C8H4BrClN2
MW:243.487759590149
CID:2191347
PubChem ID:53423850
Update Time:2025-04-21
3-Bromo-7-chlorocinnoline Chemical and Physical Properties
Names and Identifiers
-
- 3-Bromo-7-chlorocinnoline
- DB-315249
- 1083181-45-6
- DTXSID50698390
- SCHEMBL10964807
-
- Inchi： 1S/C8H4BrClN2/c9-8-3-5-1-2-6(10)4-7(5)11-12-8/h1-4H
- InChI Key： GRMWYNMWEXGNIW-UHFFFAOYSA-N
- SMILES： BrC1=CC2C=CC(=CC=2N=N1)Cl
Computed Properties
- Exact Mass: 241.92464g/mol
- Monoisotopic Mass: 241.92464g/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: 2.3
- Topological Polar Surface Area: 25.8?2
3-Bromo-7-chlorocinnoline Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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