Cas no 337355-82-5 (5-Isoxazolecarboxaldehyde, 3-(3-nitrophenyl)-)
337355-82-5 structure
Product Name:5-Isoxazolecarboxaldehyde, 3-(3-nitrophenyl)-
CAS No:337355-82-5
MF:C10H6N2O4
MW:218.165642261505
CID:1459596
PubChem ID:85785730
Update Time:2025-04-20
5-Isoxazolecarboxaldehyde, 3-(3-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolecarboxaldehyde, 3-(3-nitrophenyl)-
- 337355-82-5
- DTXSID001260506
- 3-(3-Nitrophenyl)-5-isoxazolecarboxaldehyde
-
- Inchi： 1S/C10H6N2O4/c13-6-9-5-10(11-16-9)7-2-1-3-8(4-7)12(14)15/h1-6H
- InChI Key： OZUFDOYPODSWQV-UHFFFAOYSA-N
- SMILES： O1C(C=O)=CC(C2C=CC=C(C=2)[N+](=O)[O-])=N1
Computed Properties
- Exact Mass: 218.03278
- Monoisotopic Mass: 218.03275668g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 279
- 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: 1.7
- Topological Polar Surface Area: 88.9?2
Experimental Properties
- PSA: 86.24
5-Isoxazolecarboxaldehyde, 3-(3-nitrophenyl)- Related Literature
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
337355-82-5 (5-Isoxazolecarboxaldehyde, 3-(3-nitrophenyl)-) Related Products
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