Cas no 854018-86-3 (Tert-butyl (2-chloro-3-prop-1-yn-1-ylpyridin-4-yl)carbamate)
854018-86-3 structure
Product Name:Tert-butyl (2-chloro-3-prop-1-yn-1-ylpyridin-4-yl)carbamate
CAS No:854018-86-3
MF:C13H15ClN2O2
MW:266.723402261734
CID:2149081
Update Time:2023-08-04
Tert-butyl (2-chloro-3-prop-1-yn-1-ylpyridin-4-yl)carbamate Chemical and Physical Properties
Names and Identifiers
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- tert-butyl (2-chloro-3-prop-1-yn-1-ylpyridin-4-yl)carbamate
- DTVUOCBZVJRFCC-UHFFFAOYSA-N
- [2-chloro-3-(1-propynyl)-4-pyridinyl]-carbamic acid, 1,1-dimethylethyl ester
- Tert-butyl (2-chloro-3-prop-1-yn-1-ylpyridin-4-yl)carbamate
-
- Inchi： 1S/C13H15ClN2O2/c1-5-6-9-10(7-8-15-11(9)14)16-12(17)18-13(2,3)4/h7-8H,1-4H3,(H,15,16,17)
- InChI Key： DTVUOCBZVJRFCC-UHFFFAOYSA-N
- SMILES： ClC1C(C#CC)=C(C=CN=1)NC(=O)OC(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 364
- Topological Polar Surface Area: 51.2
Tert-butyl (2-chloro-3-prop-1-yn-1-ylpyridin-4-yl)carbamate Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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