Cas no 138763-65-2 (Butyl (2-chloropyridin-4-yl)carbamate)
138763-65-2 structure
Product Name:Butyl (2-chloropyridin-4-yl)carbamate
CAS No:138763-65-2
MF:C10H13ClN2O2
MW:228.675421476364
CID:2773453
PubChem ID:71342452
Update Time:2025-04-21
Butyl (2-chloropyridin-4-yl)carbamate Chemical and Physical Properties
Names and Identifiers
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- Butyl (2-chloropyridin-4-yl)carbamate
- DTXSID70769213
- 138763-65-2
-
- Inchi： 1S/C10H13ClN2O2/c1-2-3-6-15-10(14)13-8-4-5-12-9(11)7-8/h4-5,7H,2-3,6H2,1H3,(H,12,13,14)
- InChI Key： AZJLZPTVXCEPCK-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CN=1)NC(=O)OCCCC
Computed Properties
- Exact Mass: 228.0665554Da
- Monoisotopic Mass: 228.0665554Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 202
- 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: 2.6
- Topological Polar Surface Area: 51.2?2
Butyl (2-chloropyridin-4-yl)carbamate Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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