Cas no 2433769-24-3 (Cis-3-(4-bromo-1H-pyrazol-1-yl)butan-2-ol)
2433769-24-3 structure
Product Name:Cis-3-(4-bromo-1H-pyrazol-1-yl)butan-2-ol
CAS No:2433769-24-3
MF:C7H11BrN2O
MW:219.0790
CID:5108869
Update Time:2023-02-27
Cis-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-, (αR,βS)-rel-
- Cis-3-(4-bromo-1H-pyrazol-1-yl)butan-2-ol
- starbld0045388
- (2R,3S)-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/t5-,6+/m0/s1
- InChI Key： OFXIYXXRVYMDKK-NTSWFWBYSA-N
- SMILES： BrC1C=NN(C=1)[C@@H](C)[C@@H](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
Cis-3-(4-bromo-1H-pyrazol-1-yl)butan-2-ol Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
2433769-24-3 (Cis-3-(4-bromo-1H-pyrazol-1-yl)butan-2-ol) Related Products
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