Cas no 596125-23-4 (1,3-Benzodioxole-5-carboxamide, N-[(3-phenyl-5-isoxazolyl)methyl]-)
596125-23-4 structure
Product Name:1,3-Benzodioxole-5-carboxamide, N-[(3-phenyl-5-isoxazolyl)methyl]-
CAS No:596125-23-4
MF:C18H14N2O4
MW:322.314764499664
CID:1615687
Update Time:2024-09-12
1,3-Benzodioxole-5-carboxamide, N-[(3-phenyl-5-isoxazolyl)methyl]- Chemical and Physical Properties
Names and Identifiers
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- 1,3-Benzodioxole-5-carboxamide, N-[(3-phenyl-5-isoxazolyl)methyl]-
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- Inchi: 1S/C18H14N2O4/c21-18(13-6-7-16-17(8-13)23-11-22-16)19-10-14-9-15(20-24-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,21)
- InChI Key: FFRPSVSLONIYCF-UHFFFAOYSA-N
- SMILES: O1C2=CC=C(C(NCC3ON=C(C4=CC=CC=C4)C=3)=O)C=C2OC1
Computed Properties
- Exact Mass: 322.09542
Experimental Properties
- Density: 1.326±0.06 g/cm3(Predicted)
- Boiling Point: 542.8±50.0 °C(Predicted)
- PSA: 73.59
- pka: 12.98±0.20(Predicted)
1,3-Benzodioxole-5-carboxamide, N-[(3-phenyl-5-isoxazolyl)methyl]- Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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