Cas no 61496-13-7 (Methanone, (4-methoxyphenyl)-4-pyridinyl-, hydrobromide)
61496-13-7 structure
Product Name:Methanone, (4-methoxyphenyl)-4-pyridinyl-, hydrobromide
CAS No:61496-13-7
MF:C13H12BrNO2
MW:294.143882751465
CID:477248
PubChem ID:71395291
Update Time:2025-04-19
Methanone, (4-methoxyphenyl)-4-pyridinyl-, hydrobromide Chemical and Physical Properties
Names and Identifiers
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- Methanone, (4-methoxyphenyl)-4-pyridinyl-, hydrobromide
- (4-methoxyphenyl)-pyridin-4-ylmethanone,hydrobromide
- (4-Methoxyphenyl)(pyridin-4-yl)methanone--hydrogen bromide (1/1)
- 61496-13-7
- DTXSID80816924
-
- Inchi： 1S/C13H11NO2.BrH/c1-16-12-4-2-10(3-5-12)13(15)11-6-8-14-9-7-11;/h2-9H,1H3;1H
- InChI Key： UCACDTJQMFSRFY-UHFFFAOYSA-N
- SMILES： Br.O(C)C1C=CC(=CC=1)C(C1C=CN=CC=1)=O
Computed Properties
- Exact Mass: 293.00516
- Monoisotopic Mass: 293.00514g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 228
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- PSA: 39.19
Methanone, (4-methoxyphenyl)-4-pyridinyl-, hydrobromide Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
61496-13-7 (Methanone, (4-methoxyphenyl)-4-pyridinyl-, hydrobromide) Related Products
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