Cas no 192944-86-8 (ethyl 1-(2-cyanoethyl)-1H-indazole-5-carboxylate)
192944-86-8 structure
Product Name:ethyl 1-(2-cyanoethyl)-1H-indazole-5-carboxylate
CAS No:192944-86-8
MF:C13H13N3O2
MW:243.261222600937
CID:1108434
PubChem ID:10800265
Update Time:2025-04-20
ethyl 1-(2-cyanoethyl)-1H-indazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 1-(2-cyanoethyl)-1H-indazole-5-carboxylate
- DA-08707
- 192944-86-8
- SCHEMBL8687401
-
- Inchi： 1S/C13H13N3O2/c1-2-18-13(17)10-4-5-12-11(8-10)9-15-16(12)7-3-6-14/h4-5,8-9H,2-3,7H2,1H3
- InChI Key： STLCCOUHPUXGDU-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC2=C(C=NN2CCC#N)C=1)=O
Computed Properties
- Exact Mass: 243.100776666g/mol
- Monoisotopic Mass: 243.100776666g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 349
- 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: 1.4
- Topological Polar Surface Area: 67.9?2
ethyl 1-(2-cyanoethyl)-1H-indazole-5-carboxylate Related Literature
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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