Cas no 17380-23-3 (3-(phenylacetyl)-1H-indole-5-carbonitrile)
17380-23-3 structure
Product Name:3-(phenylacetyl)-1H-indole-5-carbonitrile
CAS No:17380-23-3
MF:C17H12N2O
MW:260.28998374939
CID:1363360
PubChem ID:28508
Update Time:2025-04-20
3-(phenylacetyl)-1H-indole-5-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-(phenylacetyl)-1H-indole-5-carbonitrile
- 3-(2-phenylacetyl)-1H-indole-5-carbonitrile
- INDOLE-5-CARBONITRILE, 3-(PHENYLACETYL)-
- 3-(Phenylacetyl)indole-5-carbonitrile
- 17380-23-3
- DTXSID40169665
- 5-Cyano-3-(phenylacetyl) indole
-
- Inchi： 1S/C17H12N2O/c18-10-13-6-7-16-14(8-13)15(11-19-16)17(20)9-12-4-2-1-3-5-12/h1-8,11,19H,9H2
- InChI Key： CQBGCMKFYSUZPJ-UHFFFAOYSA-N
- SMILES： O=C(CC1C=CC=CC=1)C1=CNC2C=CC(C#N)=CC1=2
Computed Properties
- Exact Mass: 259.08723
- Monoisotopic Mass: 260.094963
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 405
- 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
- Topological Polar Surface Area: 56.6
- XLogP3: 3
Experimental Properties
- Density: 1.28
- Boiling Point: 511.2°C at 760 mmHg
- Flash Point: 263°C
- Refractive Index: 1.68
- PSA: 53.75
3-(phenylacetyl)-1H-indole-5-carbonitrile 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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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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