Cas no 857640-50-7 (5-CHLORO-3-(2-FLUOROPHENYL)-1-METHYL-1H-PYRAZOLE-4-METHANOL)
857640-50-7 structure
Product Name:5-CHLORO-3-(2-FLUOROPHENYL)-1-METHYL-1H-PYRAZOLE-4-METHANOL
CAS No:857640-50-7
MF:C11H10ClFN2O
MW:240.661304950714
CID:1841131
PubChem ID:129965410
Update Time:2025-04-21
5-CHLORO-3-(2-FLUOROPHENYL)-1-METHYL-1H-PYRAZOLE-4-METHANOL Chemical and Physical Properties
Names and Identifiers
-
- 5-CHLORO-3-(2-FLUOROPHENYL)-1-METHYL-1H-PYRAZOLE-4-METHANOL
- 857640-50-7
- DB-306623
-
- Inchi： 1S/C11H10ClFN2O/c1-15-11(12)8(6-16)10(14-15)7-4-2-3-5-9(7)13/h2-5,16H,6H2,1H3
- InChI Key： LAVZSHJJYJINEL-UHFFFAOYSA-N
- SMILES： ClC1=C(CO)C(C2C=CC=CC=2F)=NN1C
Computed Properties
- Exact Mass: 240.0465688g/mol
- Monoisotopic Mass: 240.0465688g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 244
- 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: 2.1
- Topological Polar Surface Area: 38?2
5-CHLORO-3-(2-FLUOROPHENYL)-1-METHYL-1H-PYRAZOLE-4-METHANOL Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
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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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