Cas no 1402586-10-0 (2-(2-Fluoro-4-nitrobenzyl)isoindoline-1,3-dione)
1402586-10-0 structure
Product Name:2-(2-Fluoro-4-nitrobenzyl)isoindoline-1,3-dione
CAS No:1402586-10-0
MF:C15H9FN2O4
MW:300.241367101669
CID:2911225
Update Time:2023-08-10
2-(2-Fluoro-4-nitrobenzyl)isoindoline-1,3-dione Chemical and Physical Properties
Names and Identifiers
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- 2-(2-Fluoro-4-nitrobenzyl)isoindoline-1,3-dione
- 2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione
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- Inchi： 1S/C15H9FN2O4/c16-13-7-10(18(21)22)6-5-9(13)8-17-14(19)11-3-1-2-4-12(11)15(17)20/h1-7H,8H2
- InChI Key： JIPIPCBUSCYQMB-UHFFFAOYSA-N
- SMILES： FC1C=C(C=CC=1CN1C(C2C=CC=CC=2C1=O)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 300.05463493 g/mol
- Monoisotopic Mass: 300.05463493 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 468
- 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
- Molecular Weight: 300.24
- XLogP3: 2.3
- Topological Polar Surface Area: 83.2
2-(2-Fluoro-4-nitrobenzyl)isoindoline-1,3-dione Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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