Cas no 112194-57-7 (5-chloro-1-ethyl-1H-Indole)
5-chloro-1-ethyl-1H-Indole structure
Product Name:5-chloro-1-ethyl-1H-Indole
CAS No:112194-57-7
MF:C10H10ClN
MW:179.646101474762
CID:1099209
PubChem ID:17899159
Update Time:2025-04-20
5-chloro-1-ethyl-1H-Indole Chemical and Physical Properties
Names and Identifiers
-
- 5-chloro-1-ethyl-1H-Indole
- 5-chloro-1-ethylindole
- SCHEMBL6726048
- DB-196401
- HS-7697
- 5-Chloro-1-ethyl-indole
- DTXSID00591524
- RXECDNSWOFHZKW-UHFFFAOYSA-N
- 112194-57-7
- 1H-Indole, 5-chloro-1-ethyl-
-
- Inchi： 1S/C10H10ClN/c1-2-12-6-5-8-7-9(11)3-4-10(8)12/h3-7H,2H2,1H3
- InChI Key： RXECDNSWOFHZKW-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)C=CN2CC
Computed Properties
- Exact Mass: 179.0501770g/mol
- Monoisotopic Mass: 179.0501770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- 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: 2.9
- Topological Polar Surface Area: 4.9?2
5-chloro-1-ethyl-1H-Indole Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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