Cas no 141306-08-3 (1H-Indole, 5-chloro-3-(4-fluorophenyl)-)
141306-08-3 structure
Product Name:1H-Indole, 5-chloro-3-(4-fluorophenyl)-
CAS No:141306-08-3
MF:C14H9ClFN
MW:245.679365873337
CID:1303702
PubChem ID:20088000
Update Time:2025-04-20
1H-Indole, 5-chloro-3-(4-fluorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole, 5-chloro-3-(4-fluorophenyl)-
- 5-chloro-3-(4-fluorophenyl)-1H-indole
- SCHEMBL9274097
- DTXSID50602290
- 1h-indole,5-chloro-3-(4-fluorophenyl)-
- 141306-08-3
-
- Inchi： 1S/C14H9ClFN/c15-10-3-6-14-12(7-10)13(8-17-14)9-1-4-11(16)5-2-9/h1-8,17H
- InChI Key： XRTGRVRPFBPACT-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)C(=CN2)C1C=CC(=CC=1)F
Computed Properties
- Exact Mass: 245.04087
- Monoisotopic Mass: 245.0407551g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 265
- 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: 4.4
- Topological Polar Surface Area: 15.8?2
Experimental Properties
- PSA: 15.79
1H-Indole, 5-chloro-3-(4-fluorophenyl)- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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