Cas no 62542-45-4 (1H-Indole-2-carbonitrile, 3-formyl-)
62542-45-4 structure
Product Name:1H-Indole-2-carbonitrile, 3-formyl-
CAS No:62542-45-4
MF:C10H6N2O
MW:170.16744184494
CID:440983
PubChem ID:24971632
Update Time:2025-04-19
1H-Indole-2-carbonitrile, 3-formyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2-carbonitrile, 3-formyl-
- 3-formyl-1H-indole-2-carbonitrile
- 62542-45-4
- DTXSID80648106
- 3-methanoyl-1H-indole-2-carbonitrile
-
- Inchi： 1S/C10H6N2O/c11-5-10-8(6-13)7-3-1-2-4-9(7)12-10/h1-4,6,12H
- InChI Key： UZFBCZUNBXLHBH-UHFFFAOYSA-N
- SMILES： O=CC1=C(C#N)NC2C=CC=CC=21
Computed Properties
- Exact Mass: 170.04808
- Monoisotopic Mass: 170.048012819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 255
- 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: 1.6
- Topological Polar Surface Area: 56.6?2
Experimental Properties
- PSA: 56.65
1H-Indole-2-carbonitrile, 3-formyl- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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