Cas no 2432829-48-4 (3-(4-Bromo-1H-pyrazol-1-yl)cyclobutan-1-one)
2432829-48-4 structure
Product Name:3-(4-Bromo-1H-pyrazol-1-yl)cyclobutan-1-one
CAS No:2432829-48-4
MF:C7H7BrN2O
MW:215.05
CID:5108867
Update Time:2023-02-27
3-(4-Bromo-1H-pyrazol-1-yl)cyclobutan-1-one Chemical and Physical Properties
Names and Identifiers
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- 3-(4-Bromo-1H-pyrazol-1-yl)cyclobutan-1-one
- AT22847
-
- Inchi： 1S/C7H7BrN2O/c8-5-3-9-10(4-5)6-1-7(11)2-6/h3-4,6H,1-2H2
- InChI Key： UVWGKUJIOCYTCQ-UHFFFAOYSA-N
- SMILES： BrC1C=NN(C2CC(C2)=O)C=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 177
- XLogP3: 0.3
- Topological Polar Surface Area: 34.9
3-(4-Bromo-1H-pyrazol-1-yl)cyclobutan-1-one Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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