Cas no 69963-21-9 (1-Butanone, 4-chloro-1-(3-pyridinyl)-)
69963-21-9 structure
Product Name:1-Butanone, 4-chloro-1-(3-pyridinyl)-
CAS No:69963-21-9
MF:C9H10ClNO
MW:183.634801387787
CID:391065
PubChem ID:12471005
Update Time:2025-04-19
1-Butanone, 4-chloro-1-(3-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone, 4-chloro-1-(3-pyridinyl)-
- 4-chloro-1-pyridin-3-ylbutan-1-one
- 4-chloro-1-(3-pyridinyl)-1-butanone
- 4-CHLORO-1-(PYRIDIN-3-YL)BUTAN-1-ONE
- SCHEMBL5636336
- ZCTPFQRLEGLYEO-UHFFFAOYSA-N
- DTXSID40499550
- 69963-21-9
- AKOS014777937
-
- Inchi： 1S/C9H10ClNO/c10-5-1-4-9(12)8-3-2-6-11-7-8/h2-3,6-7H,1,4-5H2
- InChI Key： ZCTPFQRLEGLYEO-UHFFFAOYSA-N
- SMILES： ClCCCC(C1C=NC=CC=1)=O
Computed Properties
- Exact Mass: 183.0452
- Monoisotopic Mass: 183.0450916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 150
- 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: 1.3
- Topological Polar Surface Area: 30?2
Experimental Properties
- PSA: 29.96
1-Butanone, 4-chloro-1-(3-pyridinyl)- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
69963-21-9 (1-Butanone, 4-chloro-1-(3-pyridinyl)-) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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