Cas no 61672-67-1 (3-Isoxazolecarbonyl azide, 5-methyl-)
61672-67-1 structure
Product Name:3-Isoxazolecarbonyl azide, 5-methyl-
CAS No:61672-67-1
MF:C5H4N4O2
MW:152.110859870911
CID:470599
PubChem ID:14662560
Update Time:2025-04-19
3-Isoxazolecarbonyl azide, 5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarbonyl azide, 5-methyl-
- 5-methyl-1,2-oxazole-3-carbonyl azide
- 3-Isoxazolecarbonyl azide,5-methyl
- 5-Methyl-isoxazol-3-carbonylazid
- 5-methylisoxazole-3-carbonyl azide
- UIHRXBNYNLPLIS-UHFFFAOYSA-N
- DTXSID20562731
- 61672-67-1
-
- Inchi： 1S/C5H4N4O2/c1-3-2-4(8-11-3)5(10)7-9-6/h2H,1H3
- InChI Key： UIHRXBNYNLPLIS-UHFFFAOYSA-N
- SMILES： O1C(C)=CC(C(N=[N+]=[N-])=O)=N1
Computed Properties
- Exact Mass: 152.03300
- Monoisotopic Mass: 152.03342538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 211
- 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: 2
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 92.85000
- LogP: 0.88626
3-Isoxazolecarbonyl azide, 5-methyl- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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