Cas no 823797-35-9 (3H-Pyrazol-3-one, 1-(3-chloropropyl)-1,2-dihydro-)
823797-35-9 structure
Product Name:3H-Pyrazol-3-one, 1-(3-chloropropyl)-1,2-dihydro-
CAS No:823797-35-9
MF:C6H9ClN2O
MW:160.60146021843
CID:692905
PubChem ID:71418959
Update Time:2025-04-19
3H-Pyrazol-3-one, 1-(3-chloropropyl)-1,2-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrazol-3-one, 1-(3-chloropropyl)-1,2-dihydro-
- 2-(3-chloropropyl)-1H-pyrazol-5-one
- DTXSID20838241
- 1-(3-Chloropropyl)-1,2-dihydro-3H-pyrazol-3-one
- 823797-35-9
- 1-(3-Chloropropyl)-1H-pyrazol-3(2H)-one
-
- Inchi： 1S/C6H9ClN2O/c7-3-1-4-9-5-2-6(10)8-9/h2,5H,1,3-4H2,(H,8,10)
- InChI Key： RVIYQSADWKFRAC-UHFFFAOYSA-N
- SMILES： ClCCCN1C=CC(N1)=O
Computed Properties
- Exact Mass: 160.0403406g/mol
- Monoisotopic Mass: 160.0403406g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 158
- 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: 0.8
- Topological Polar Surface Area: 32.3?2
3H-Pyrazol-3-one, 1-(3-chloropropyl)-1,2-dihydro- Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
823797-35-9 (3H-Pyrazol-3-one, 1-(3-chloropropyl)-1,2-dihydro-) Related Products
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