Cas no 275-95-6 (Cycloheptatriazole(8CI,9CI))
Cycloheptatriazole(8CI,9CI) structure
Product Name:Cycloheptatriazole(8CI,9CI)
Cycloheptatriazole(8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cycloheptatriazole(8CI,9CI)
- 1,2,3-Triazaazulene
- cyclohepta[d]triazole
- DTXSID80736714
- 1,2,3-Triaza-azulene
- SCHEMBL2075273
- 275-95-6
- Cyclohepta[d][1,2,3]triazole
-
- Inchi： 1S/C7H5N3/c1-2-4-6-7(5-3-1)9-10-8-6/h1-5H
- InChI Key： BRWBPJCJRKBYQU-UHFFFAOYSA-N
- SMILES： N1C2=CC=CC=CC2=NN=1
Computed Properties
- Exact Mass: 131.04845
- Monoisotopic Mass: 131.048347172g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 103
- 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: 0.4
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.67
Cycloheptatriazole(8CI,9CI) Related Literature
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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