Cas no 1256836-49-3 (1-(6-Bromo-2-chloropyridin-3-yl)ethanone)
1256836-49-3 structure
Product Name:1-(6-Bromo-2-chloropyridin-3-yl)ethanone
CAS No:1256836-49-3
MF:C7H5BrClNO
MW:234.477699995041
CID:6805208
PubChem ID:118999563
Update Time:2025-03-28
1-(6-Bromo-2-chloropyridin-3-yl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(6-Bromo-2-chloro-3-pyridinyl)ethanone
- 1-(6-Bromo-2-chloropyridin-3-yl)ethanone
- MFCD18255735
- SCHEMBL18412775
- 1256836-49-3
-
- Inchi： 1S/C7H5BrClNO/c1-4(11)5-2-3-6(8)10-7(5)9/h2-3H,1H3
- InChI Key： XFYIKVLWAHRLFS-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C(=N1)Cl)C(C)=O
Computed Properties
- Exact Mass: 232.92430Da
- Monoisotopic Mass: 232.92430Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 165
- 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: 30?2
1-(6-Bromo-2-chloropyridin-3-yl)ethanone Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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