Cas no 866405-01-8 (5-Chloro-2-propyl-1H-indole)
5-Chloro-2-propyl-1H-indole structure
Product Name:5-Chloro-2-propyl-1H-indole
CAS No:866405-01-8
MF:C11H12ClN
MW:193.672681808472
CID:1082817
PubChem ID:72942270
Update Time:2025-04-20
5-Chloro-2-propyl-1H-indole Chemical and Physical Properties
Names and Identifiers
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- 5-Chloro-2-propyl-1H-indole
- 866405-01-8
-
- Inchi： 1S/C11H12ClN/c1-2-3-10-7-8-6-9(12)4-5-11(8)13-10/h4-7,13H,2-3H2,1H3
- InChI Key： WYZMWTGGGQNRKI-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)C=C(CCC)N2
Computed Properties
- Exact Mass: 193.0658271g/mol
- Monoisotopic Mass: 193.0658271g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 172
- 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: 3.9
- Topological Polar Surface Area: 15.8?2
5-Chloro-2-propyl-1H-indole Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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