Cas no 863637-25-6 (2H-Indazole-3-carbonitrile)
2H-Indazole-3-carbonitrile structure
Product Name:2H-Indazole-3-carbonitrile
CAS No:863637-25-6
MF:C8H5N3
MW:143.145400762558
CID:4252203
Update Time:2025-04-24
2H-Indazole-3-carbonitrile Chemical and Physical Properties
Names and Identifiers
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- 2H-Indazole-3-carbonitrile
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- Inchi: 1S/C8H5N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4H,(H,10,11)
- InChI Key: REHRQXVEAXFIML-UHFFFAOYSA-N
- SMILES: N1=C2C(C=CC=C2)=C(C#N)N1
Computed Properties
- Exact Mass: 143.048
- Monoisotopic Mass: 143.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 193
- 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: 52.5A^2
Experimental Properties
- Density: 1.34
- Boiling Point: 370.312°C at 760 mmHg
- Flash Point: 126.669°C
- Refractive Index: 1.685
- PSA: 52.47000
- LogP: 1.43458
2H-Indazole-3-carbonitrile 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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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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