Cas no 1522651-06-4 (3-(4-bromo-1H-pyrazol-1-yl)butan-2-ol)
1522651-06-4 structure
Product Name:3-(4-bromo-1H-pyrazol-1-yl)butan-2-ol
CAS No:1522651-06-4
MF:C7H11BrN2O
MW:219.079040765762
CID:5101378
Update Time:2023-08-24
3-(4-bromo-1H-pyrazol-1-yl)butan-2-ol Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-1-ethanol, 4-bromo-α,β-dimethyl-
- 3-(4-bromo-1H-pyrazol-1-yl)butan-2-ol
-
- Inchi： 1S/C7H11BrN2O/c1-5(6(2)11)10-4-7(8)3-9-10/h3-6,11H,1-2H3
- InChI Key： OFXIYXXRVYMDKK-UHFFFAOYSA-N
- SMILES： BrC1C=NN(C=1)C(C)C(C)O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 134
- XLogP3: 1
- Topological Polar Surface Area: 38
3-(4-bromo-1H-pyrazol-1-yl)butan-2-ol Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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