Cas no 256228-65-6 (1H-Indazole-3,7-dicarbonitrile)
256228-65-6 structure
Product Name:1H-Indazole-3,7-dicarbonitrile
CAS No:256228-65-6
MF:C9H4N4
MW:168.154860496521
CID:1109880
PubChem ID:16726527
Update Time:2025-04-20
1H-Indazole-3,7-dicarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole-3,7-dicarbonitrile
- 256228-65-6
- DTXSID801305760
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- Inchi： 1S/C9H4N4/c10-4-6-2-1-3-7-8(5-11)12-13-9(6)7/h1-3H,(H,12,13)
- InChI Key： VYNPMVFKAWMMCJ-UHFFFAOYSA-N
- SMILES： N1C2C(C#N)=CC=CC=2C(C#N)=N1
Computed Properties
- Exact Mass: 168.043596145g/mol
- Monoisotopic Mass: 168.043596145g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 293
- 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: 1.3
- Topological Polar Surface Area: 76.3?2
1H-Indazole-3,7-dicarbonitrile Related Literature
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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