Cas no 131074-12-9 (3-(Hydrazinylmethyl)benzo[d]isoxazole)
131074-12-9 structure
Product Name:3-(Hydrazinylmethyl)benzo[d]isoxazole
CAS No:131074-12-9
MF:C8H9N3O
MW:163.176561117172
CID:898493
Update Time:2023-08-02
3-(Hydrazinylmethyl)benzo[d]isoxazole Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzisoxazole,3-(hydrazinomethyl)-(9CI)
- 3-(hydrazinylmethyl)benzo[d]isoxazole
- 3-(Hydrazinylmethyl)benzo[d]isoxazole
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- Inchi: 1S/C8H9N3O/c9-10-5-7-6-3-1-2-4-8(6)12-11-7/h1-4,10H,5,9H2
- InChI Key: VJGCLCYYNKBLGE-UHFFFAOYSA-N
- SMILES: O1C2C=CC=CC=2C(CNN)=N1
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 153
- Topological Polar Surface Area: 64.099
3-(Hydrazinylmethyl)benzo[d]isoxazole Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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