Cas no 127049-48-3 (1-Propanone, 1-(6-bromo-2-pyridinyl)-2,2-dimethyl-)
127049-48-3 structure
Product Name:1-Propanone, 1-(6-bromo-2-pyridinyl)-2,2-dimethyl-
CAS No:127049-48-3
MF:C10H12BrNO
MW:242.11238193512
CID:1220835
PubChem ID:11630096
Update Time:2025-04-20
1-Propanone, 1-(6-bromo-2-pyridinyl)-2,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone, 1-(6-bromo-2-pyridinyl)-2,2-dimethyl-
- 1-(6-bromopyridin-2-yl)-2,2-dimethylpropan-1-one
- 127049-48-3
-
- Inchi： 1S/C10H12BrNO/c1-10(2,3)9(13)7-5-4-6-8(11)12-7/h4-6H,1-3H3
- InChI Key： KBXQNXVRPIUQME-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(C(C(C)(C)C)=O)=N1
Computed Properties
- Exact Mass: 241.01026
- Monoisotopic Mass: 241.01023g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 198
- 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: 3.3
- Topological Polar Surface Area: 30?2
Experimental Properties
- PSA: 29.96
1-Propanone, 1-(6-bromo-2-pyridinyl)-2,2-dimethyl- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
127049-48-3 (1-Propanone, 1-(6-bromo-2-pyridinyl)-2,2-dimethyl-) Related Products
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