Cas no 366448-75-1 (5-chloro-2-ethyl-1H-Indole)
5-chloro-2-ethyl-1H-Indole structure
Product Name:5-chloro-2-ethyl-1H-Indole
CAS No:366448-75-1
MF:C10H10ClN
MW:179.646101474762
CID:1111550
PubChem ID:20517175
Update Time:2025-04-20
5-chloro-2-ethyl-1H-Indole Chemical and Physical Properties
Names and Identifiers
-
- 5-chloro-2-ethyl-1H-Indole
- ZAZKZRJHPUYWFQ-UHFFFAOYSA-N
- 366448-75-1
- DB-196471
- SCHEMBL2056276
- 5-Chloro-2-ethylindole
-
- Inchi： 1S/C10H10ClN/c1-2-9-6-7-5-8(11)3-4-10(7)12-9/h3-6,12H,2H2,1H3
- InChI Key： ZAZKZRJHPUYWFQ-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)C=C(CC)N2
Computed Properties
- Exact Mass: 179.0501770g/mol
- Monoisotopic Mass: 179.0501770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 160
- 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: 3.1
- Topological Polar Surface Area: 15.8?2
5-chloro-2-ethyl-1H-Indole Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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